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

C26H44N2 — CID 66719214

IUPAC4-[2-[4-amino-3,5-bis(prop-2-enyl)cyclohexyl]ethyl]-2,6-bis(prop-2-enyl)cyclohexan-1-amine
SMILESC=CCC1CC(CCC2CC(CC=C)C(N)C(CC=C)C2)CC(CC=C)C1N
InChIInChI=1S/C26H44N2/c1-5-9-21-15-19(16-22(10-6-2)25(21)27)13-14-20-17-23(11-7-3)26(28)24(18-20)12-8-4/h5-8,19-26H,1-4,9-18,27-28H2
InChIKeyHCJYXPQRLKPFGG-UHFFFAOYSA-N
MW384.65 g/mol
LogP6.01
Rot. Bonds11

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

4-[2-[4-amino-3,5-bis(prop-2-enyl)cyclohexyl]ethyl]-2,6-bis(prop-2-enyl)cyclohexan-1-amine (PubChem CID 66719214) has the molecular formula C26H44N2 and a molecular weight of 384.65 g/mol. Its IUPAC name is 4-[2-[4-amino-3,5-bis(prop-2-enyl)cyclohexyl]ethyl]-2,6-bis(prop-2-enyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-[2-[4-amino-3,5-bis(prop-2-enyl)cyclohexyl]ethyl]-2,6-bis(prop-2-enyl)cyclohexan-1-amine
PubChem CID66719214
Molecular FormulaC26H44N2
Molecular Weight384.65 g/mol
Exact Mass384.35
IUPAC Name4-[2-[4-amino-3,5-bis(prop-2-enyl)cyclohexyl]ethyl]-2,6-bis(prop-2-enyl)cyclohexan-1-amine
SMILESC=CCC1CC(CCC2CC(CC=C)C(N)C(CC=C)C2)CC(CC=C)C1N
InChIInChI=1S/C26H44N2/c1-5-9-21-15-19(16-22(10-6-2)25(21)27)13-14-20-17-23(11-7-3)26(28)24(18-20)12-8-4/h5-8,19-26H,1-4,9-18,27-28H2
InChIKeyHCJYXPQRLKPFGG-UHFFFAOYSA-N
XLogP6.01
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.65
LogP ≤ 56.01
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-[2-[4-amino-3,5-bis(prop-2-enyl)cyclohexyl]ethyl]-2,6-bis(prop-2-enyl)cyclohexan-1-amine?
The IUPAC name of 4-[2-[4-amino-3,5-bis(prop-2-enyl)cyclohexyl]ethyl]-2,6-bis(prop-2-enyl)cyclohexan-1-amine (CID 66719214) is 4-[2-[4-amino-3,5-bis(prop-2-enyl)cyclohexyl]ethyl]-2,6-bis(prop-2-enyl)cyclohexan-1-amine.
What is the SMILES notation for 4-[2-[4-amino-3,5-bis(prop-2-enyl)cyclohexyl]ethyl]-2,6-bis(prop-2-enyl)cyclohexan-1-amine?
The canonical SMILES for 4-[2-[4-amino-3,5-bis(prop-2-enyl)cyclohexyl]ethyl]-2,6-bis(prop-2-enyl)cyclohexan-1-amine is C=CCC1CC(CCC2CC(CC=C)C(N)C(CC=C)C2)CC(CC=C)C1N.
What is the InChIKey of 4-[2-[4-amino-3,5-bis(prop-2-enyl)cyclohexyl]ethyl]-2,6-bis(prop-2-enyl)cyclohexan-1-amine?
The InChIKey is HCJYXPQRLKPFGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H44N2/c1-5-9-21-15-19(16-22(10-6-2)25(21)27)13-14-20-17-23(11-7-3)26(28)24(18-20)12-8-4/h5-8,19-26H,1-4,9-18,27-28H2.
What are the key properties of 4-[2-[4-amino-3,5-bis(prop-2-enyl)cyclohexyl]ethyl]-2,6-bis(prop-2-enyl)cyclohexan-1-amine?
4-[2-[4-amino-3,5-bis(prop-2-enyl)cyclohexyl]ethyl]-2,6-bis(prop-2-enyl)cyclohexan-1-amine has a molecular weight of 384.65 g/mol, XLogP of 6.01, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-amino-3,5-bis(prop-2-enyl)cyclohexyl]ethyl]-2,6-bis(prop-2-enyl)cyclohexan-1-amine is sourced from PubChem (CID 66719214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).