N-[[3-[[cyclopentylmethyl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine

C19H32N2 — CID 63657931

IUPACN-[[3-[[cyclopentylmethyl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cccc(CN(C)CC2CCCC2)c1
InChIInChI=1S/C19H32N2/c1-16(2)12-20-13-18-9-6-10-19(11-18)15-21(3)14-17-7-4-5-8-17/h6,9-11,16-17,20H,4-5,7-8,12-15H2,1-3H3
InChIKeyCDNIWAARCIYSBW-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.05
Rot. Bonds8

About N-[[3-[[cyclopentylmethyl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine

N-[[3-[[cyclopentylmethyl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine (PubChem CID 63657931) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is N-[[3-[[cyclopentylmethyl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[3-[[cyclopentylmethyl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine
PubChem CID63657931
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC NameN-[[3-[[cyclopentylmethyl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cccc(CN(C)CC2CCCC2)c1
InChIInChI=1S/C19H32N2/c1-16(2)12-20-13-18-9-6-10-19(11-18)15-21(3)14-17-7-4-5-8-17/h6,9-11,16-17,20H,4-5,7-8,12-15H2,1-3H3
InChIKeyCDNIWAARCIYSBW-UHFFFAOYSA-N
XLogP4.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 54.05
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-(cyclopropylmethyl)-N-[[3-[(2-methylpropylamino)methyl]phenyl]methyl]cyclopropanamine
CID 64521279
N-[[3-[[cyclobutylmethyl(methyl)amino]methyl]-4-fluorophenyl]methyl]-2-methylpropan-1-amine
CID 107454897
N-[[3-bromo-4-[[cyclobutylmethyl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine
CID 102770757
N-[[5-[[cyclohexylmethyl(methyl)amino]methyl]thiophen-2-yl]methyl]-2-methylpropan-1-amine
CID 107555361
N-methyl-N-[[3-[(2-methylpropylamino)methyl]phenyl]methyl]pentan-1-amine
CID 62422254
N-[(3-bromophenyl)methyl]-1-cyclopentyl-N-methylmethanamine
CID 55151680
N-(cyclopentylmethyl)-N-methyl-4-[(2-methylpropylamino)methyl]aniline
CID 63630568
N-methyl-N-[[3-(methylaminomethyl)phenyl]methyl]-1-(oxan-4-yl)methanamine
CID 55227611
N-[[3-[[methyl(oxolan-2-ylmethyl)amino]methyl]phenyl]methyl]propan-2-amine
CID 62436952
N-(cyclobutylmethyl)-2-fluoro-N-methyl-4-[(2-methylpropylamino)methyl]aniline
CID 63071120
N-[[3-[[methyl(oxan-4-ylmethyl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 63706317

Frequently Asked Questions

What is the IUPAC name of N-[[3-[[cyclopentylmethyl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[3-[[cyclopentylmethyl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine (CID 63657931) is N-[[3-[[cyclopentylmethyl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[3-[[cyclopentylmethyl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[3-[[cyclopentylmethyl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1cccc(CN(C)CC2CCCC2)c1.
What is the InChIKey of N-[[3-[[cyclopentylmethyl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine?
The InChIKey is CDNIWAARCIYSBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-16(2)12-20-13-18-9-6-10-19(11-18)15-21(3)14-17-7-4-5-8-17/h6,9-11,16-17,20H,4-5,7-8,12-15H2,1-3H3.
What are the key properties of N-[[3-[[cyclopentylmethyl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine?
N-[[3-[[cyclopentylmethyl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine has a molecular weight of 288.48 g/mol, XLogP of 4.05, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[[cyclopentylmethyl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 63657931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).