N-(3,4-dimethylcyclohexyl)-2-methyl-4-pyrrolidin-1-ylaniline

C19H30N2 — CID 64734134

IUPACN-(3,4-dimethylcyclohexyl)-2-methyl-4-pyrrolidin-1-ylaniline
SMILESCc1cc(N2CCCC2)ccc1NC1CCC(C)C(C)C1
InChIInChI=1S/C19H30N2/c1-14-6-7-17(12-15(14)2)20-19-9-8-18(13-16(19)3)21-10-4-5-11-21/h8-9,13-15,17,20H,4-7,10-12H2,1-3H3
InChIKeyRIRXRZZLZHCWOM-UHFFFAOYSA-N
MW286.46 g/mol
LogP4.83
Rot. Bonds3

About N-(3,4-dimethylcyclohexyl)-2-methyl-4-pyrrolidin-1-ylaniline

N-(3,4-dimethylcyclohexyl)-2-methyl-4-pyrrolidin-1-ylaniline (PubChem CID 64734134) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is N-(3,4-dimethylcyclohexyl)-2-methyl-4-pyrrolidin-1-ylaniline.

Molecular Properties

Compound NameN-(3,4-dimethylcyclohexyl)-2-methyl-4-pyrrolidin-1-ylaniline
PubChem CID64734134
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC NameN-(3,4-dimethylcyclohexyl)-2-methyl-4-pyrrolidin-1-ylaniline
SMILESCc1cc(N2CCCC2)ccc1NC1CCC(C)C(C)C1
InChIInChI=1S/C19H30N2/c1-14-6-7-17(12-15(14)2)20-19-9-8-18(13-16(19)3)21-10-4-5-11-21/h8-9,13-15,17,20H,4-7,10-12H2,1-3H3
InChIKeyRIRXRZZLZHCWOM-UHFFFAOYSA-N
XLogP4.83
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylcyclohexyl)-2-methyl-4-pyrrolidin-1-ylaniline?
The IUPAC name of N-(3,4-dimethylcyclohexyl)-2-methyl-4-pyrrolidin-1-ylaniline (CID 64734134) is N-(3,4-dimethylcyclohexyl)-2-methyl-4-pyrrolidin-1-ylaniline.
What is the SMILES notation for N-(3,4-dimethylcyclohexyl)-2-methyl-4-pyrrolidin-1-ylaniline?
The canonical SMILES for N-(3,4-dimethylcyclohexyl)-2-methyl-4-pyrrolidin-1-ylaniline is Cc1cc(N2CCCC2)ccc1NC1CCC(C)C(C)C1.
What is the InChIKey of N-(3,4-dimethylcyclohexyl)-2-methyl-4-pyrrolidin-1-ylaniline?
The InChIKey is RIRXRZZLZHCWOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-14-6-7-17(12-15(14)2)20-19-9-8-18(13-16(19)3)21-10-4-5-11-21/h8-9,13-15,17,20H,4-7,10-12H2,1-3H3.
What are the key properties of N-(3,4-dimethylcyclohexyl)-2-methyl-4-pyrrolidin-1-ylaniline?
N-(3,4-dimethylcyclohexyl)-2-methyl-4-pyrrolidin-1-ylaniline has a molecular weight of 286.46 g/mol, XLogP of 4.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylcyclohexyl)-2-methyl-4-pyrrolidin-1-ylaniline is sourced from PubChem (CID 64734134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).