N-(cyclopropylmethyl)-N-[[3-[(2-methylpropylamino)methyl]phenyl]methyl]cyclopropanamine

C19H30N2 — CID 64521279

IUPACN-(cyclopropylmethyl)-N-[[3-[(2-methylpropylamino)methyl]phenyl]methyl]cyclopropanamine
SMILESCC(C)CNCc1cccc(CN(CC2CC2)C2CC2)c1
InChIInChI=1S/C19H30N2/c1-15(2)11-20-12-17-4-3-5-18(10-17)14-21(19-8-9-19)13-16-6-7-16/h3-5,10,15-16,19-20H,6-9,11-14H2,1-2H3
InChIKeyRPBBYQUIYLQZKK-UHFFFAOYSA-N
MW286.46 g/mol
LogP3.81
Rot. Bonds9

About N-(cyclopropylmethyl)-N-[[3-[(2-methylpropylamino)methyl]phenyl]methyl]cyclopropanamine

N-(cyclopropylmethyl)-N-[[3-[(2-methylpropylamino)methyl]phenyl]methyl]cyclopropanamine (PubChem CID 64521279) has the molecular formula C19H30N2 and a molecular weight of 286.46 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-N-[[3-[(2-methylpropylamino)methyl]phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-N-[[3-[(2-methylpropylamino)methyl]phenyl]methyl]cyclopropanamine
PubChem CID64521279
Molecular FormulaC19H30N2
Molecular Weight286.46 g/mol
Exact Mass286.24
IUPAC NameN-(cyclopropylmethyl)-N-[[3-[(2-methylpropylamino)methyl]phenyl]methyl]cyclopropanamine
SMILESCC(C)CNCc1cccc(CN(CC2CC2)C2CC2)c1
InChIInChI=1S/C19H30N2/c1-15(2)11-20-12-17-4-3-5-18(10-17)14-21(19-8-9-19)13-16-6-7-16/h3-5,10,15-16,19-20H,6-9,11-14H2,1-2H3
InChIKeyRPBBYQUIYLQZKK-UHFFFAOYSA-N
XLogP3.81
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.46
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3-[[cyclopropylmethyl(propan-2-yl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine
CID 62413210
N-[[3-[[cyclopentylmethyl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine
CID 63657931
N-(cyclopropylmethyl)-N-[[5-[(2-methylpropylamino)methyl]furan-2-yl]methyl]cyclopropanamine
CID 64520094
N-cyclopropyl-N-(cyclopropylmethyl)-4-[(2-methylpropylamino)methyl]aniline
CID 64520020
N-butyl-N-[[4-[(2-methylpropylamino)methyl]phenyl]methyl]cyclopropanamine
CID 62429494
N-[[4-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine
CID 63939310
N-[[3-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]methyl]ethanamine
CID 63939316
N-[[3-[[cyclopropylmethyl(propan-2-yl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 62413208
N,4-dimethyl-N-[[3-[(propan-2-ylamino)methyl]phenyl]methyl]cyclohexan-1-amine
CID 62411782
N-methyl-N-[[3-[(2-methylpropylamino)methyl]phenyl]methyl]pentan-1-amine
CID 62422254
N-[[4-[[cyclopropylmethyl(propyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine
CID 62431123
2-chloro-N-(cyclopropylmethyl)-4-[(2-methylpropylamino)methyl]-N-propan-2-ylaniline
CID 81144148

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-N-[[3-[(2-methylpropylamino)methyl]phenyl]methyl]cyclopropanamine?
The IUPAC name of N-(cyclopropylmethyl)-N-[[3-[(2-methylpropylamino)methyl]phenyl]methyl]cyclopropanamine (CID 64521279) is N-(cyclopropylmethyl)-N-[[3-[(2-methylpropylamino)methyl]phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-(cyclopropylmethyl)-N-[[3-[(2-methylpropylamino)methyl]phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-(cyclopropylmethyl)-N-[[3-[(2-methylpropylamino)methyl]phenyl]methyl]cyclopropanamine is CC(C)CNCc1cccc(CN(CC2CC2)C2CC2)c1.
What is the InChIKey of N-(cyclopropylmethyl)-N-[[3-[(2-methylpropylamino)methyl]phenyl]methyl]cyclopropanamine?
The InChIKey is RPBBYQUIYLQZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2/c1-15(2)11-20-12-17-4-3-5-18(10-17)14-21(19-8-9-19)13-16-6-7-16/h3-5,10,15-16,19-20H,6-9,11-14H2,1-2H3.
What are the key properties of N-(cyclopropylmethyl)-N-[[3-[(2-methylpropylamino)methyl]phenyl]methyl]cyclopropanamine?
N-(cyclopropylmethyl)-N-[[3-[(2-methylpropylamino)methyl]phenyl]methyl]cyclopropanamine has a molecular weight of 286.46 g/mol, XLogP of 3.81, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-N-[[3-[(2-methylpropylamino)methyl]phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 64521279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).