N-[[3-[(cyclopropylamino)methyl]phenyl]methyl]-N,3-dimethylcyclohexan-1-amine

C19H30N2 — CID 62430584

IUPACN-[[3-[(cyclopropylamino)methyl]phenyl]methyl]-N,3-dimethylcyclohexan-1-amine
SMILESCC1CCCC(N(C)Cc2cccc(CNC3CC3)c2)C1
InChIInChI=1S/C19H30N2/c1-15-5-3-8-19(11-15)21(2)14-17-7-4-6-16(12-17)13-20-18-9-10-18/h4,6-7,12,15,18-20H,3,5,8-11,13-14H2,1-2H3
InChIKeyKSPAMZZRUZAZSZ-UHFFFAOYSA-N
MW286.46 g/mol
LogP3.95
Rot. Bonds6

About N-[[3-[(cyclopropylamino)methyl]phenyl]methyl]-N,3-dimethylcyclohexan-1-amine

N-[[3-[(cyclopropylamino)methyl]phenyl]methyl]-N,3-dimethylcyclohexan-1-amine (PubChem CID 62430584) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is N-[[3-[(cyclopropylamino)methyl]phenyl]methyl]-N,3-dimethylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[[3-[(cyclopropylamino)methyl]phenyl]methyl]-N,3-dimethylcyclohexan-1-amine
PubChem CID62430584
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC NameN-[[3-[(cyclopropylamino)methyl]phenyl]methyl]-N,3-dimethylcyclohexan-1-amine
SMILESCC1CCCC(N(C)Cc2cccc(CNC3CC3)c2)C1
InChIInChI=1S/C19H30N2/c1-15-5-3-8-19(11-15)21(2)14-17-7-4-6-16(12-17)13-20-18-9-10-18/h4,6-7,12,15,18-20H,3,5,8-11,13-14H2,1-2H3
InChIKeyKSPAMZZRUZAZSZ-UHFFFAOYSA-N
XLogP3.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-[(cyclopropylamino)methyl]phenyl]methyl]-N-ethylcyclopentanamine
CID 62422304
3-[[methyl-(3-methylcyclohexyl)amino]methyl]benzohydrazide
CID 63584512
2-chloro-4-[(cyclopropylamino)methyl]-N-methyl-N-(3-methylcyclohexyl)aniline
CID 81147848
N-[(3-cyclopropylphenyl)methyl]-3-methylcyclohexan-1-amine
CID 79978765
N,4-dimethyl-N-[[3-[(propan-2-ylamino)methyl]phenyl]methyl]cyclohexan-1-amine
CID 62411782
N-[[3-[[methyl(2-methylbutan-2-yl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 63965008
cis-(1R,3S)-3-methyl-N-[(3-methylphenyl)methyl]cyclopentan-1-amine
CID 95376410
N-[[3-[(3,5-dimethylpiperidin-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 62423584
N-[[3-[[cyclopropylmethyl(propan-2-yl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 62413208
2-chloro-4-[[methyl-(3-methylcyclohexyl)amino]methyl]phenol
CID 82982535
4-[[methyl-(3-methylcyclohexyl)amino]methyl]pyridin-2-amine
CID 62471042
N-cyclopropyl-N'-methyl-N'-(3-methylcyclohexyl)ethane-1,2-diamine
CID 61447072

Frequently Asked Questions

What is the IUPAC name of N-[[3-[(cyclopropylamino)methyl]phenyl]methyl]-N,3-dimethylcyclohexan-1-amine?
The IUPAC name of N-[[3-[(cyclopropylamino)methyl]phenyl]methyl]-N,3-dimethylcyclohexan-1-amine (CID 62430584) is N-[[3-[(cyclopropylamino)methyl]phenyl]methyl]-N,3-dimethylcyclohexan-1-amine.
What is the SMILES notation for N-[[3-[(cyclopropylamino)methyl]phenyl]methyl]-N,3-dimethylcyclohexan-1-amine?
The canonical SMILES for N-[[3-[(cyclopropylamino)methyl]phenyl]methyl]-N,3-dimethylcyclohexan-1-amine is CC1CCCC(N(C)Cc2cccc(CNC3CC3)c2)C1.
What is the InChIKey of N-[[3-[(cyclopropylamino)methyl]phenyl]methyl]-N,3-dimethylcyclohexan-1-amine?
The InChIKey is KSPAMZZRUZAZSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-15-5-3-8-19(11-15)21(2)14-17-7-4-6-16(12-17)13-20-18-9-10-18/h4,6-7,12,15,18-20H,3,5,8-11,13-14H2,1-2H3.
What are the key properties of N-[[3-[(cyclopropylamino)methyl]phenyl]methyl]-N,3-dimethylcyclohexan-1-amine?
N-[[3-[(cyclopropylamino)methyl]phenyl]methyl]-N,3-dimethylcyclohexan-1-amine has a molecular weight of 286.46 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(cyclopropylamino)methyl]phenyl]methyl]-N,3-dimethylcyclohexan-1-amine is sourced from PubChem (CID 62430584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).