N-(cyclohexylmethyl)-N-[(4-methoxyphenyl)methyl]pyrrolidin-3-amine

C19H30N2O — CID 69062995

IUPACN-(cyclohexylmethyl)-N-[(4-methoxyphenyl)methyl]pyrrolidin-3-amine
SMILESCOc1ccc(CN(CC2CCCCC2)C2CCNC2)cc1
InChIInChI=1S/C19H30N2O/c1-22-19-9-7-17(8-10-19)15-21(18-11-12-20-13-18)14-16-5-3-2-4-6-16/h7-10,16,18,20H,2-6,11-15H2,1H3
InChIKeyVOTBAFQDUCGVJD-UHFFFAOYSA-N
MW302.46 g/mol
LogP3.44
Rot. Bonds6

About N-(cyclohexylmethyl)-N-[(4-methoxyphenyl)methyl]pyrrolidin-3-amine

N-(cyclohexylmethyl)-N-[(4-methoxyphenyl)methyl]pyrrolidin-3-amine (PubChem CID 69062995) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-N-[(4-methoxyphenyl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-N-[(4-methoxyphenyl)methyl]pyrrolidin-3-amine
PubChem CID69062995
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC NameN-(cyclohexylmethyl)-N-[(4-methoxyphenyl)methyl]pyrrolidin-3-amine
SMILESCOc1ccc(CN(CC2CCCCC2)C2CCNC2)cc1
InChIInChI=1S/C19H30N2O/c1-22-19-9-7-17(8-10-19)15-21(18-11-12-20-13-18)14-16-5-3-2-4-6-16/h7-10,16,18,20H,2-6,11-15H2,1H3
InChIKeyVOTBAFQDUCGVJD-UHFFFAOYSA-N
XLogP3.44
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclohexylmethyl)-N-[(4-methoxyphenyl)methyl]-1,1-dioxothiolan-3-amine
CID 55446420
N-cyclohexyl-N-[(4-methoxyphenyl)methyl]azetidin-3-amine
CID 142720743
N-ethyl-N-[(4-methoxyphenyl)methyl]cyclohexanamine
CID 112818440
(3S)-N-(cyclopentylmethyl)-N-[(2,3-dimethylphenyl)methyl]pyrrolidin-3-amine
CID 11346709
N-(cyclohexylmethyl)-N-[(3,4-dichlorophenyl)methyl]piperidin-4-amine
CID 58624330
N-ethyl-N-[2-(4-methoxyphenoxy)ethyl]pyrrolidin-3-amine
CID 63300307
N-[1-(4-methoxyphenyl)propan-2-yl]-N-methylpyrrolidin-3-amine
CID 63297878
N-[(2-bromo-5-methoxyphenyl)methyl]-N-(piperidin-4-ylmethyl)cyclopropanamine
CID 79705582
N-[(2-bromo-5-methoxyphenyl)methyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106639732
N-(cyclohexylmethyl)-N-[(4-methoxyphenyl)methyl]pentan-1-amine
CID 138518982
4-[[ethyl(pyrrolidin-3-yl)amino]methyl]phenol
CID 63299452
2-[cyclopentyl-[(4-methoxyphenyl)methyl]amino]ethanol
CID 62015643

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-N-[(4-methoxyphenyl)methyl]pyrrolidin-3-amine?
The IUPAC name of N-(cyclohexylmethyl)-N-[(4-methoxyphenyl)methyl]pyrrolidin-3-amine (CID 69062995) is N-(cyclohexylmethyl)-N-[(4-methoxyphenyl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for N-(cyclohexylmethyl)-N-[(4-methoxyphenyl)methyl]pyrrolidin-3-amine?
The canonical SMILES for N-(cyclohexylmethyl)-N-[(4-methoxyphenyl)methyl]pyrrolidin-3-amine is COc1ccc(CN(CC2CCCCC2)C2CCNC2)cc1.
What is the InChIKey of N-(cyclohexylmethyl)-N-[(4-methoxyphenyl)methyl]pyrrolidin-3-amine?
The InChIKey is VOTBAFQDUCGVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O/c1-22-19-9-7-17(8-10-19)15-21(18-11-12-20-13-18)14-16-5-3-2-4-6-16/h7-10,16,18,20H,2-6,11-15H2,1H3.
What are the key properties of N-(cyclohexylmethyl)-N-[(4-methoxyphenyl)methyl]pyrrolidin-3-amine?
N-(cyclohexylmethyl)-N-[(4-methoxyphenyl)methyl]pyrrolidin-3-amine has a molecular weight of 302.46 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-N-[(4-methoxyphenyl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 69062995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).