N,N-dicyclohexyl-4-[4-[4-[1-cyclohexyl-1-[4-(4-methylcyclohex-3-en-1-yl)cyclohexyl]propan-2-yl]cyclohexyl]cyclohexyl]cyclohexan-1-amine

C52H89N — CID 71090703

IUPACN,N-dicyclohexyl-4-[4-[4-[1-cyclohexyl-1-[4-(4-methylcyclohex-3-en-1-yl)cyclohexyl]propan-2-yl]cyclohexyl]cyclohexyl]cyclohexan-1-amine
SMILESCC1=CCC(C2CCC(C(C3CCCCC3)C(C)C3CCC(C4CCC(C5CCC(N(C6CCCCC6)C6CCCCC6)CC5)CC4)CC3)CC2)CC1
InChIInChI=1S/C52H89N/c1-38-18-20-41(21-19-38)45-30-32-48(33-31-45)52(47-12-6-3-7-13-47)39(2)40-22-24-42(25-23-40)43-26-28-44(29-27-43)46-34-36-51(37-35-46)53(49-14-8-4-9-15-49)50-16-10-5-11-17-50/h18,39-52H,3-17,19-37H2,1-2H3
InChIKeyCTLYMQJNTSPORG-UHFFFAOYSA-N
MW728.29 g/mol
LogP15.51
Rot. Bonds10

About N,N-dicyclohexyl-4-[4-[4-[1-cyclohexyl-1-[4-(4-methylcyclohex-3-en-1-yl)cyclohexyl]propan-2-yl]cyclohexyl]cyclohexyl]cyclohexan-1-amine

N,N-dicyclohexyl-4-[4-[4-[1-cyclohexyl-1-[4-(4-methylcyclohex-3-en-1-yl)cyclohexyl]propan-2-yl]cyclohexyl]cyclohexyl]cyclohexan-1-amine (PubChem CID 71090703) has the molecular formula C52H89N and a molecular weight of 728.29 g/mol. Its IUPAC name is N,N-dicyclohexyl-4-[4-[4-[1-cyclohexyl-1-[4-(4-methylcyclohex-3-en-1-yl)cyclohexyl]propan-2-yl]cyclohexyl]cyclohexyl]cyclohexan-1-amine.

Molecular Properties

Compound NameN,N-dicyclohexyl-4-[4-[4-[1-cyclohexyl-1-[4-(4-methylcyclohex-3-en-1-yl)cyclohexyl]propan-2-yl]cyclohexyl]cyclohexyl]cyclohexan-1-amine
PubChem CID71090703
Molecular FormulaC52H89N
Molecular Weight728.29 g/mol
Exact Mass727.70
IUPAC NameN,N-dicyclohexyl-4-[4-[4-[1-cyclohexyl-1-[4-(4-methylcyclohex-3-en-1-yl)cyclohexyl]propan-2-yl]cyclohexyl]cyclohexyl]cyclohexan-1-amine
SMILESCC1=CCC(C2CCC(C(C3CCCCC3)C(C)C3CCC(C4CCC(C5CCC(N(C6CCCCC6)C6CCCCC6)CC5)CC4)CC3)CC2)CC1
InChIInChI=1S/C52H89N/c1-38-18-20-41(21-19-38)45-30-32-48(33-31-45)52(47-12-6-3-7-13-47)39(2)40-22-24-42(25-23-40)43-26-28-44(29-27-43)46-34-36-51(37-35-46)53(49-14-8-4-9-15-49)50-16-10-5-11-17-50/h18,39-52H,3-17,19-37H2,1-2H3
InChIKeyCTLYMQJNTSPORG-UHFFFAOYSA-N
XLogP15.51
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.29
LogP ≤ 515.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N,N-dicyclohexyl-4-[4-[4-[1-cyclohexyl-1-[4-(4-methylcyclohex-3-en-1-yl)cyclohexyl]propan-2-yl]cyclohexyl]cyclohexyl]cyclohexan-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 N,N-dicyclohexyl-4-[4-[4-[1-cyclohexyl-1-[4-(4-methylcyclohex-3-en-1-yl)cyclohexyl]propan-2-yl]cyclohexyl]cyclohexyl]cyclohexan-1-amine?
The IUPAC name of N,N-dicyclohexyl-4-[4-[4-[1-cyclohexyl-1-[4-(4-methylcyclohex-3-en-1-yl)cyclohexyl]propan-2-yl]cyclohexyl]cyclohexyl]cyclohexan-1-amine (CID 71090703) is N,N-dicyclohexyl-4-[4-[4-[1-cyclohexyl-1-[4-(4-methylcyclohex-3-en-1-yl)cyclohexyl]propan-2-yl]cyclohexyl]cyclohexyl]cyclohexan-1-amine.
What is the SMILES notation for N,N-dicyclohexyl-4-[4-[4-[1-cyclohexyl-1-[4-(4-methylcyclohex-3-en-1-yl)cyclohexyl]propan-2-yl]cyclohexyl]cyclohexyl]cyclohexan-1-amine?
The canonical SMILES for N,N-dicyclohexyl-4-[4-[4-[1-cyclohexyl-1-[4-(4-methylcyclohex-3-en-1-yl)cyclohexyl]propan-2-yl]cyclohexyl]cyclohexyl]cyclohexan-1-amine is CC1=CCC(C2CCC(C(C3CCCCC3)C(C)C3CCC(C4CCC(C5CCC(N(C6CCCCC6)C6CCCCC6)CC5)CC4)CC3)CC2)CC1.
What is the InChIKey of N,N-dicyclohexyl-4-[4-[4-[1-cyclohexyl-1-[4-(4-methylcyclohex-3-en-1-yl)cyclohexyl]propan-2-yl]cyclohexyl]cyclohexyl]cyclohexan-1-amine?
The InChIKey is CTLYMQJNTSPORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C52H89N/c1-38-18-20-41(21-19-38)45-30-32-48(33-31-45)52(47-12-6-3-7-13-47)39(2)40-22-24-42(25-23-40)43-26-28-44(29-27-43)46-34-36-51(37-35-46)53(49-14-8-4-9-15-49)50-16-10-5-11-17-50/h18,39-52H,3-17,19-37H2,1-2H3.
What are the key properties of N,N-dicyclohexyl-4-[4-[4-[1-cyclohexyl-1-[4-(4-methylcyclohex-3-en-1-yl)cyclohexyl]propan-2-yl]cyclohexyl]cyclohexyl]cyclohexan-1-amine?
N,N-dicyclohexyl-4-[4-[4-[1-cyclohexyl-1-[4-(4-methylcyclohex-3-en-1-yl)cyclohexyl]propan-2-yl]cyclohexyl]cyclohexyl]cyclohexan-1-amine has a molecular weight of 728.29 g/mol, XLogP of 15.51, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dicyclohexyl-4-[4-[4-[1-cyclohexyl-1-[4-(4-methylcyclohex-3-en-1-yl)cyclohexyl]propan-2-yl]cyclohexyl]cyclohexyl]cyclohexan-1-amine is sourced from PubChem (CID 71090703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).