N,N,3-trimethyl-2,2,3-triphenyl-6-propan-2-ylcyclohexan-1-amine

C30H37N — CID 174439668

IUPACN,N,3-trimethyl-2,2,3-triphenyl-6-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCC(C)(c2ccccc2)C(c2ccccc2)(c2ccccc2)C1N(C)C
InChIInChI=1S/C30H37N/c1-23(2)27-21-22-29(3,24-15-9-6-10-16-24)30(28(27)31(4)5,25-17-11-7-12-18-25)26-19-13-8-14-20-26/h6-20,23,27-28H,21-22H2,1-5H3
InChIKeyIUGHBJSRIJMAQL-UHFFFAOYSA-N
MW411.63 g/mol
LogP6.93
Rot. Bonds5

About N,N,3-trimethyl-2,2,3-triphenyl-6-propan-2-ylcyclohexan-1-amine

N,N,3-trimethyl-2,2,3-triphenyl-6-propan-2-ylcyclohexan-1-amine (PubChem CID 174439668) has the molecular formula C30H37N and a molecular weight of 411.63 g/mol. Its IUPAC name is N,N,3-trimethyl-2,2,3-triphenyl-6-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound NameN,N,3-trimethyl-2,2,3-triphenyl-6-propan-2-ylcyclohexan-1-amine
PubChem CID174439668
Molecular FormulaC30H37N
Molecular Weight411.63 g/mol
Exact Mass411.29
IUPAC NameN,N,3-trimethyl-2,2,3-triphenyl-6-propan-2-ylcyclohexan-1-amine
SMILESCC(C)C1CCC(C)(c2ccccc2)C(c2ccccc2)(c2ccccc2)C1N(C)C
InChIInChI=1S/C30H37N/c1-23(2)27-21-22-29(3,24-15-9-6-10-16-24)30(28(27)31(4)5,25-17-11-7-12-18-25)26-19-13-8-14-20-26/h6-20,23,27-28H,21-22H2,1-5H3
InChIKeyIUGHBJSRIJMAQL-UHFFFAOYSA-N
XLogP6.93
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.63
LogP ≤ 56.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N,3-trimethyl-2,2,3-triphenyl-6-propan-2-ylcyclohexan-1-amine?
The IUPAC name of N,N,3-trimethyl-2,2,3-triphenyl-6-propan-2-ylcyclohexan-1-amine (CID 174439668) is N,N,3-trimethyl-2,2,3-triphenyl-6-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for N,N,3-trimethyl-2,2,3-triphenyl-6-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for N,N,3-trimethyl-2,2,3-triphenyl-6-propan-2-ylcyclohexan-1-amine is CC(C)C1CCC(C)(c2ccccc2)C(c2ccccc2)(c2ccccc2)C1N(C)C.
What is the InChIKey of N,N,3-trimethyl-2,2,3-triphenyl-6-propan-2-ylcyclohexan-1-amine?
The InChIKey is IUGHBJSRIJMAQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N/c1-23(2)27-21-22-29(3,24-15-9-6-10-16-24)30(28(27)31(4)5,25-17-11-7-12-18-25)26-19-13-8-14-20-26/h6-20,23,27-28H,21-22H2,1-5H3.
What are the key properties of N,N,3-trimethyl-2,2,3-triphenyl-6-propan-2-ylcyclohexan-1-amine?
N,N,3-trimethyl-2,2,3-triphenyl-6-propan-2-ylcyclohexan-1-amine has a molecular weight of 411.63 g/mol, XLogP of 6.93, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,3-trimethyl-2,2,3-triphenyl-6-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 174439668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).