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

C28H48N2 — CID 66693832

IUPAC4-[1-[4-amino-3,5-bis(prop-2-enyl)cyclohexyl]butyl]-2,6-bis(prop-2-enyl)cyclohexan-1-amine
SMILESC=CCC1CC(C(CCC)C2CC(CC=C)C(N)C(CC=C)C2)CC(CC=C)C1N
InChIInChI=1S/C28H48N2/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/h6-9,20-28H,1-4,10-19,29-30H2,5H3
InChIKeyWPIWTPJYFQLRGN-UHFFFAOYSA-N
MW412.71 g/mol
LogP6.65
Rot. Bonds12

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]butyl]-2,6-bis(prop-2-enyl)cyclohexan-1-amine (PubChem CID 66693832) has the molecular formula C28H48N2 and a molecular weight of 412.71 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.

Molecular Properties

Compound Name4-[1-[4-amino-3,5-bis(prop-2-enyl)cyclohexyl]butyl]-2,6-bis(prop-2-enyl)cyclohexan-1-amine
PubChem CID66693832
Molecular FormulaC28H48N2
Molecular Weight412.71 g/mol
Exact Mass412.38
IUPAC Name4-[1-[4-amino-3,5-bis(prop-2-enyl)cyclohexyl]butyl]-2,6-bis(prop-2-enyl)cyclohexan-1-amine
SMILESC=CCC1CC(C(CCC)C2CC(CC=C)C(N)C(CC=C)C2)CC(CC=C)C1N
InChIInChI=1S/C28H48N2/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/h6-9,20-28H,1-4,10-19,29-30H2,5H3
InChIKeyWPIWTPJYFQLRGN-UHFFFAOYSA-N
XLogP6.65
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.71
LogP ≤ 56.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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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?
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 (CID 66693832) is 4-[1-[4-amino-3,5-bis(prop-2-enyl)cyclohexyl]butyl]-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?
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 is 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?
The InChIKey is WPIWTPJYFQLRGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H48N2/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/h6-9,20-28H,1-4,10-19,29-30H2,5H3.
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]butyl]-2,6-bis(prop-2-enyl)cyclohexan-1-amine has a molecular weight of 412.71 g/mol, XLogP of 6.65, 12 rotatable bonds, 2 hydrogen bond donors, and 2 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 is sourced from PubChem (CID 66693832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).