2-[4-[4-(2-methylidenecyclohex-3-en-1-yl)-4-[4-(1,2,5,6-tetrahydronaphthalen-2-yl)cyclohex-2-en-1-yl]butyl]cyclohexa-1,5-dien-1-yl]pent-4-en-1-amine

C38H51N — CID 67951367

IUPAC2-[4-[4-(2-methylidenecyclohex-3-en-1-yl)-4-[4-(1,2,5,6-tetrahydronaphthalen-2-yl)cyclohex-2-en-1-yl]butyl]cyclohexa-1,5-dien-1-yl]pent-4-en-1-amine
SMILESC=CCC(CN)C1=CCC(CCCC(C2C=CC(C3C=CC4=C(C=CCC4)C3)CC2)C2CCC=CC2=C)C=C1
InChIInChI=1S/C38H51N/c1-3-9-36(27-39)32-18-16-29(17-19-32)11-8-15-38(37-14-7-4-10-28(37)2)33-23-20-31(21-24-33)35-25-22-30-12-5-6-13-34(30)26-35/h3-4,6,10,13,16,18-20,22-23,25,29,31,33,35-38H,1-2,5,7-9,11-12,14-15,17,21,24,26-27,39H2
InChIKeyBHHVTQDHZAXQBN-UHFFFAOYSA-N
MW521.83 g/mol
LogP9.75
Rot. Bonds11

About 2-[4-[4-(2-methylidenecyclohex-3-en-1-yl)-4-[4-(1,2,5,6-tetrahydronaphthalen-2-yl)cyclohex-2-en-1-yl]butyl]cyclohexa-1,5-dien-1-yl]pent-4-en-1-amine

2-[4-[4-(2-methylidenecyclohex-3-en-1-yl)-4-[4-(1,2,5,6-tetrahydronaphthalen-2-yl)cyclohex-2-en-1-yl]butyl]cyclohexa-1,5-dien-1-yl]pent-4-en-1-amine (PubChem CID 67951367) has the molecular formula C38H51N and a molecular weight of 521.83 g/mol. Its IUPAC name is 2-[4-[4-(2-methylidenecyclohex-3-en-1-yl)-4-[4-(1,2,5,6-tetrahydronaphthalen-2-yl)cyclohex-2-en-1-yl]butyl]cyclohexa-1,5-dien-1-yl]pent-4-en-1-amine.

Molecular Properties

Compound Name2-[4-[4-(2-methylidenecyclohex-3-en-1-yl)-4-[4-(1,2,5,6-tetrahydronaphthalen-2-yl)cyclohex-2-en-1-yl]butyl]cyclohexa-1,5-dien-1-yl]pent-4-en-1-amine
PubChem CID67951367
Molecular FormulaC38H51N
Molecular Weight521.83 g/mol
Exact Mass521.40
IUPAC Name2-[4-[4-(2-methylidenecyclohex-3-en-1-yl)-4-[4-(1,2,5,6-tetrahydronaphthalen-2-yl)cyclohex-2-en-1-yl]butyl]cyclohexa-1,5-dien-1-yl]pent-4-en-1-amine
SMILESC=CCC(CN)C1=CCC(CCCC(C2C=CC(C3C=CC4=C(C=CCC4)C3)CC2)C2CCC=CC2=C)C=C1
InChIInChI=1S/C38H51N/c1-3-9-36(27-39)32-18-16-29(17-19-32)11-8-15-38(37-14-7-4-10-28(37)2)33-23-20-31(21-24-33)35-25-22-30-12-5-6-13-34(30)26-35/h3-4,6,10,13,16,18-20,22-23,25,29,31,33,35-38H,1-2,5,7-9,11-12,14-15,17,21,24,26-27,39H2
InChIKeyBHHVTQDHZAXQBN-UHFFFAOYSA-N
XLogP9.75
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.83
LogP ≤ 59.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-[4-[4-(2-methylidenecyclohex-3-en-1-yl)-4-[4-(1,2,5,6-tetrahydronaphthalen-2-yl)cyclohex-2-en-1-yl]butyl]cyclohexa-1,5-dien-1-yl]pent-4-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(2-methylidenecyclohex-3-en-1-yl)-4-[4-(1,2,5,6-tetrahydronaphthalen-2-yl)cyclohex-2-en-1-yl]butyl]cyclohexa-1,5-dien-1-yl]pent-4-en-1-amine?
The IUPAC name of 2-[4-[4-(2-methylidenecyclohex-3-en-1-yl)-4-[4-(1,2,5,6-tetrahydronaphthalen-2-yl)cyclohex-2-en-1-yl]butyl]cyclohexa-1,5-dien-1-yl]pent-4-en-1-amine (CID 67951367) is 2-[4-[4-(2-methylidenecyclohex-3-en-1-yl)-4-[4-(1,2,5,6-tetrahydronaphthalen-2-yl)cyclohex-2-en-1-yl]butyl]cyclohexa-1,5-dien-1-yl]pent-4-en-1-amine.
What is the SMILES notation for 2-[4-[4-(2-methylidenecyclohex-3-en-1-yl)-4-[4-(1,2,5,6-tetrahydronaphthalen-2-yl)cyclohex-2-en-1-yl]butyl]cyclohexa-1,5-dien-1-yl]pent-4-en-1-amine?
The canonical SMILES for 2-[4-[4-(2-methylidenecyclohex-3-en-1-yl)-4-[4-(1,2,5,6-tetrahydronaphthalen-2-yl)cyclohex-2-en-1-yl]butyl]cyclohexa-1,5-dien-1-yl]pent-4-en-1-amine is C=CCC(CN)C1=CCC(CCCC(C2C=CC(C3C=CC4=C(C=CCC4)C3)CC2)C2CCC=CC2=C)C=C1.
What is the InChIKey of 2-[4-[4-(2-methylidenecyclohex-3-en-1-yl)-4-[4-(1,2,5,6-tetrahydronaphthalen-2-yl)cyclohex-2-en-1-yl]butyl]cyclohexa-1,5-dien-1-yl]pent-4-en-1-amine?
The InChIKey is BHHVTQDHZAXQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H51N/c1-3-9-36(27-39)32-18-16-29(17-19-32)11-8-15-38(37-14-7-4-10-28(37)2)33-23-20-31(21-24-33)35-25-22-30-12-5-6-13-34(30)26-35/h3-4,6,10,13,16,18-20,22-23,25,29,31,33,35-38H,1-2,5,7-9,11-12,14-15,17,21,24,26-27,39H2.
What are the key properties of 2-[4-[4-(2-methylidenecyclohex-3-en-1-yl)-4-[4-(1,2,5,6-tetrahydronaphthalen-2-yl)cyclohex-2-en-1-yl]butyl]cyclohexa-1,5-dien-1-yl]pent-4-en-1-amine?
2-[4-[4-(2-methylidenecyclohex-3-en-1-yl)-4-[4-(1,2,5,6-tetrahydronaphthalen-2-yl)cyclohex-2-en-1-yl]butyl]cyclohexa-1,5-dien-1-yl]pent-4-en-1-amine has a molecular weight of 521.83 g/mol, XLogP of 9.75, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(2-methylidenecyclohex-3-en-1-yl)-4-[4-(1,2,5,6-tetrahydronaphthalen-2-yl)cyclohex-2-en-1-yl]butyl]cyclohexa-1,5-dien-1-yl]pent-4-en-1-amine is sourced from PubChem (CID 67951367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).