4-[1-[4-amino-3,5-bis(prop-2-enyl)cyclohexyl]butyl]-2,6-bis(prop-2-enyl)cyclohexan-1-amine;4-[1-[4-amino-3,5-bis(prop-2-enyl)cyclohexyl]propyl]-2,6-bis(prop-2-enyl)cyclohexan-1-amine

C55H94N4 — CID 67379200

IUPAC4-[1-[4-amino-3,5-bis(prop-2-enyl)cyclohexyl]butyl]-2,6-bis(prop-2-enyl)cyclohexan-1-amine;4-[1-[4-amino-3,5-bis(prop-2-enyl)cyclohexyl]propyl]-2,6-bis(prop-2-enyl)cyclohexan-1-amine
SMILESC=CCC1CC(C(CC)C2CC(CC=C)C(N)C(CC=C)C2)CC(CC=C)C1N.C=CCC1CC(C(CCC)C2CC(CC=C)C(N)C(CC=C)C2)CC(CC=C)C1N
InChIInChI=1S/C28H48N2.C27H46N2/c1-6-11-20-16-24(17-21(12-7-2)27(20)29)26(15-10-5)25-18-22(13-8-3)28(30)23(19-25)14-9-4;1-6-11-19-15-23(16-20(12-7-2)26(19)28)25(10-5)24-17-21(13-8-3)27(29)22(18-24)14-9-4/h6-9,20-28H,1-4,10-19,29-30H2,5H3;6-9,19-27H,1-4,10-18,28-29H2,5H3
InChIKeyBMFRYQAKQUDABA-UHFFFAOYSA-N
MW811.38 g/mol
LogP12.90
Rot. Bonds23

About 4-[1-[4-amino-3,5-bis(prop-2-enyl)cyclohexyl]butyl]-2,6-bis(prop-2-enyl)cyclohexan-1-amine;4-[1-[4-amino-3,5-bis(prop-2-enyl)cyclohexyl]propyl]-2,6-bis(prop-2-enyl)cyclohexan-1-amine

4-[1-[4-amino-3,5-bis(prop-2-enyl)cyclohexyl]butyl]-2,6-bis(prop-2-enyl)cyclohexan-1-amine;4-[1-[4-amino-3,5-bis(prop-2-enyl)cyclohexyl]propyl]-2,6-bis(prop-2-enyl)cyclohexan-1-amine (PubChem CID 67379200) has the molecular formula C55H94N4 and a molecular weight of 811.38 g/mol. Its IUPAC name is 4-[1-[4-amino-3,5-bis(prop-2-enyl)cyclohexyl]butyl]-2,6-bis(prop-2-enyl)cyclohexan-1-amine;4-[1-[4-amino-3,5-bis(prop-2-enyl)cyclohexyl]propyl]-2,6-bis(prop-2-enyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-[1-[4-amino-3,5-bis(prop-2-enyl)cyclohexyl]butyl]-2,6-bis(prop-2-enyl)cyclohexan-1-amine;4-[1-[4-amino-3,5-bis(prop-2-enyl)cyclohexyl]propyl]-2,6-bis(prop-2-enyl)cyclohexan-1-amine
PubChem CID67379200
Molecular FormulaC55H94N4
Molecular Weight811.38 g/mol
Exact Mass810.75
IUPAC Name4-[1-[4-amino-3,5-bis(prop-2-enyl)cyclohexyl]butyl]-2,6-bis(prop-2-enyl)cyclohexan-1-amine;4-[1-[4-amino-3,5-bis(prop-2-enyl)cyclohexyl]propyl]-2,6-bis(prop-2-enyl)cyclohexan-1-amine
SMILESC=CCC1CC(C(CC)C2CC(CC=C)C(N)C(CC=C)C2)CC(CC=C)C1N.C=CCC1CC(C(CCC)C2CC(CC=C)C(N)C(CC=C)C2)CC(CC=C)C1N
InChIInChI=1S/C28H48N2.C27H46N2/c1-6-11-20-16-24(17-21(12-7-2)27(20)29)26(15-10-5)25-18-22(13-8-3)28(30)23(19-25)14-9-4;1-6-11-19-15-23(16-20(12-7-2)26(19)28)25(10-5)24-17-21(13-8-3)27(29)22(18-24)14-9-4/h6-9,20-28H,1-4,10-19,29-30H2,5H3;6-9,19-27H,1-4,10-18,28-29H2,5H3
InChIKeyBMFRYQAKQUDABA-UHFFFAOYSA-N
XLogP12.90
TPSA104.08 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds23
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500811.38
LogP ≤ 512.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 4-[1-[4-amino-3,5-bis(prop-2-enyl)cyclohexyl]butyl]-2,6-bis(prop-2-enyl)cyclohexan-1-amine;4-[1-[4-amino-3,5-bis(prop-2-enyl)cyclohexyl]propyl]-2,6-bis(prop-2-enyl)cyclohexan-1-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[4-amino-3,5-bis(prop-2-enyl)cyclohexyl]butyl]-2,6-bis(prop-2-enyl)cyclohexan-1-amine;4-[1-[4-amino-3,5-bis(prop-2-enyl)cyclohexyl]propyl]-2,6-bis(prop-2-enyl)cyclohexan-1-amine?
The IUPAC name of 4-[1-[4-amino-3,5-bis(prop-2-enyl)cyclohexyl]butyl]-2,6-bis(prop-2-enyl)cyclohexan-1-amine;4-[1-[4-amino-3,5-bis(prop-2-enyl)cyclohexyl]propyl]-2,6-bis(prop-2-enyl)cyclohexan-1-amine (CID 67379200) is 4-[1-[4-amino-3,5-bis(prop-2-enyl)cyclohexyl]butyl]-2,6-bis(prop-2-enyl)cyclohexan-1-amine;4-[1-[4-amino-3,5-bis(prop-2-enyl)cyclohexyl]propyl]-2,6-bis(prop-2-enyl)cyclohexan-1-amine.
What is the SMILES notation for 4-[1-[4-amino-3,5-bis(prop-2-enyl)cyclohexyl]butyl]-2,6-bis(prop-2-enyl)cyclohexan-1-amine;4-[1-[4-amino-3,5-bis(prop-2-enyl)cyclohexyl]propyl]-2,6-bis(prop-2-enyl)cyclohexan-1-amine?
The canonical SMILES for 4-[1-[4-amino-3,5-bis(prop-2-enyl)cyclohexyl]butyl]-2,6-bis(prop-2-enyl)cyclohexan-1-amine;4-[1-[4-amino-3,5-bis(prop-2-enyl)cyclohexyl]propyl]-2,6-bis(prop-2-enyl)cyclohexan-1-amine is C=CCC1CC(C(CC)C2CC(CC=C)C(N)C(CC=C)C2)CC(CC=C)C1N.C=CCC1CC(C(CCC)C2CC(CC=C)C(N)C(CC=C)C2)CC(CC=C)C1N.
What is the InChIKey of 4-[1-[4-amino-3,5-bis(prop-2-enyl)cyclohexyl]butyl]-2,6-bis(prop-2-enyl)cyclohexan-1-amine;4-[1-[4-amino-3,5-bis(prop-2-enyl)cyclohexyl]propyl]-2,6-bis(prop-2-enyl)cyclohexan-1-amine?
The InChIKey is BMFRYQAKQUDABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H48N2.C27H46N2/c1-6-11-20-16-24(17-21(12-7-2)27(20)29)26(15-10-5)25-18-22(13-8-3)28(30)23(19-25)14-9-4;1-6-11-19-15-23(16-20(12-7-2)26(19)28)25(10-5)24-17-21(13-8-3)27(29)22(18-24)14-9-4/h6-9,20-28H,1-4,10-19,29-30H2,5H3;6-9,19-27H,1-4,10-18,28-29H2,5H3.
What are the key properties of 4-[1-[4-amino-3,5-bis(prop-2-enyl)cyclohexyl]butyl]-2,6-bis(prop-2-enyl)cyclohexan-1-amine;4-[1-[4-amino-3,5-bis(prop-2-enyl)cyclohexyl]propyl]-2,6-bis(prop-2-enyl)cyclohexan-1-amine?
4-[1-[4-amino-3,5-bis(prop-2-enyl)cyclohexyl]butyl]-2,6-bis(prop-2-enyl)cyclohexan-1-amine;4-[1-[4-amino-3,5-bis(prop-2-enyl)cyclohexyl]propyl]-2,6-bis(prop-2-enyl)cyclohexan-1-amine has a molecular weight of 811.38 g/mol, XLogP of 12.90, 23 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[4-amino-3,5-bis(prop-2-enyl)cyclohexyl]butyl]-2,6-bis(prop-2-enyl)cyclohexan-1-amine;4-[1-[4-amino-3,5-bis(prop-2-enyl)cyclohexyl]propyl]-2,6-bis(prop-2-enyl)cyclohexan-1-amine is sourced from PubChem (CID 67379200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).