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

C27H46N2 — CID 66744136

IUPAC4-[3-[4-amino-3,5-bis(prop-2-enyl)cyclohexyl]propyl]-2,6-bis(prop-2-enyl)cyclohexan-1-amine
SMILESC=CCC1CC(CCCC2CC(CC=C)C(N)C(CC=C)C2)CC(CC=C)C1N
InChIInChI=1S/C27H46N2/c1-5-10-22-16-20(17-23(11-6-2)26(22)28)14-9-15-21-18-24(12-7-3)27(29)25(19-21)13-8-4/h5-8,20-27H,1-4,9-19,28-29H2
InChIKeyRGNCGNRBJUPCFI-UHFFFAOYSA-N
MW398.68 g/mol
LogP6.40
Rot. Bonds12

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

4-[3-[4-amino-3,5-bis(prop-2-enyl)cyclohexyl]propyl]-2,6-bis(prop-2-enyl)cyclohexan-1-amine (PubChem CID 66744136) has the molecular formula C27H46N2 and a molecular weight of 398.68 g/mol. Its IUPAC name is 4-[3-[4-amino-3,5-bis(prop-2-enyl)cyclohexyl]propyl]-2,6-bis(prop-2-enyl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-[3-[4-amino-3,5-bis(prop-2-enyl)cyclohexyl]propyl]-2,6-bis(prop-2-enyl)cyclohexan-1-amine
PubChem CID66744136
Molecular FormulaC27H46N2
Molecular Weight398.68 g/mol
Exact Mass398.37
IUPAC Name4-[3-[4-amino-3,5-bis(prop-2-enyl)cyclohexyl]propyl]-2,6-bis(prop-2-enyl)cyclohexan-1-amine
SMILESC=CCC1CC(CCCC2CC(CC=C)C(N)C(CC=C)C2)CC(CC=C)C1N
InChIInChI=1S/C27H46N2/c1-5-10-22-16-20(17-23(11-6-2)26(22)28)14-9-15-21-18-24(12-7-3)27(29)25(19-21)13-8-4/h5-8,20-27H,1-4,9-19,28-29H2
InChIKeyRGNCGNRBJUPCFI-UHFFFAOYSA-N
XLogP6.40
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.68
LogP ≤ 56.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 66693382
CID 66693382
CID 66693402
CID 66693402
CID 66693785
CID 66693785
CID 66693832
CID 66693832
CID 66719214
CID 66719214
CID 66745894
CID 66745894
CID 66809827
CID 66809827
CID 67203973
CID 67203973
CID 67222771
CID 67222771
CID 67301569
CID 67301569
CID 67379200
CID 67379200
CID 67379201
CID 67379201

Frequently Asked Questions

What is the IUPAC name of 4-[3-[4-amino-3,5-bis(prop-2-enyl)cyclohexyl]propyl]-2,6-bis(prop-2-enyl)cyclohexan-1-amine?
The IUPAC name of 4-[3-[4-amino-3,5-bis(prop-2-enyl)cyclohexyl]propyl]-2,6-bis(prop-2-enyl)cyclohexan-1-amine (CID 66744136) is 4-[3-[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-[3-[4-amino-3,5-bis(prop-2-enyl)cyclohexyl]propyl]-2,6-bis(prop-2-enyl)cyclohexan-1-amine?
The canonical SMILES for 4-[3-[4-amino-3,5-bis(prop-2-enyl)cyclohexyl]propyl]-2,6-bis(prop-2-enyl)cyclohexan-1-amine is C=CCC1CC(CCCC2CC(CC=C)C(N)C(CC=C)C2)CC(CC=C)C1N.
What is the InChIKey of 4-[3-[4-amino-3,5-bis(prop-2-enyl)cyclohexyl]propyl]-2,6-bis(prop-2-enyl)cyclohexan-1-amine?
The InChIKey is RGNCGNRBJUPCFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H46N2/c1-5-10-22-16-20(17-23(11-6-2)26(22)28)14-9-15-21-18-24(12-7-3)27(29)25(19-21)13-8-4/h5-8,20-27H,1-4,9-19,28-29H2.
What are the key properties of 4-[3-[4-amino-3,5-bis(prop-2-enyl)cyclohexyl]propyl]-2,6-bis(prop-2-enyl)cyclohexan-1-amine?
4-[3-[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 6.40, 12 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[4-amino-3,5-bis(prop-2-enyl)cyclohexyl]propyl]-2,6-bis(prop-2-enyl)cyclohexan-1-amine is sourced from PubChem (CID 66744136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).