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

C27H46N2 — CID 66693785

IUPAC4-[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
InChIInChI=1S/C27H46N2/c1-6-11-19-15-23(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/h6-9,19-27H,1-4,10-18,28-29H2,5H3
InChIKeyUWRCQUNIXOAQDS-UHFFFAOYSA-N
MW398.68 g/mol
LogP6.26
Rot. Bonds11

About 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]propyl]-2,6-bis(prop-2-enyl)cyclohexan-1-amine (PubChem CID 66693785) has the molecular formula C27H46N2 and a molecular weight of 398.68 g/mol. Its IUPAC name is 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]propyl]-2,6-bis(prop-2-enyl)cyclohexan-1-amine
PubChem CID66693785
Molecular FormulaC27H46N2
Molecular Weight398.68 g/mol
Exact Mass398.37
IUPAC Name4-[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
InChIInChI=1S/C27H46N2/c1-6-11-19-15-23(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/h6-9,19-27H,1-4,10-18,28-29H2,5H3
InChIKeyUWRCQUNIXOAQDS-UHFFFAOYSA-N
XLogP6.26
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.68
LogP ≤ 56.26
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]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]propyl]-2,6-bis(prop-2-enyl)cyclohexan-1-amine (CID 66693785) is 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]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]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.
What is the InChIKey of 4-[1-[4-amino-3,5-bis(prop-2-enyl)cyclohexyl]propyl]-2,6-bis(prop-2-enyl)cyclohexan-1-amine?
The InChIKey is UWRCQUNIXOAQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H46N2/c1-6-11-19-15-23(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/h6-9,19-27H,1-4,10-18,28-29H2,5H3.
What are the key properties of 4-[1-[4-amino-3,5-bis(prop-2-enyl)cyclohexyl]propyl]-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 398.68 g/mol, XLogP of 6.26, 11 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]propyl]-2,6-bis(prop-2-enyl)cyclohexan-1-amine is sourced from PubChem (CID 66693785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).