N-[[3-[[cyclopropylmethyl(propan-2-yl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine

C19H32N2 — CID 62413210

IUPACN-[[3-[[cyclopropylmethyl(propan-2-yl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cccc(CN(CC2CC2)C(C)C)c1
InChIInChI=1S/C19H32N2/c1-15(2)11-20-12-18-6-5-7-19(10-18)14-21(16(3)4)13-17-8-9-17/h5-7,10,15-17,20H,8-9,11-14H2,1-4H3
InChIKeyZBFVVPVGVMZYQU-UHFFFAOYSA-N
MW288.48 g/mol
LogP4.05
Rot. Bonds9

About N-[[3-[[cyclopropylmethyl(propan-2-yl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine

N-[[3-[[cyclopropylmethyl(propan-2-yl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine (PubChem CID 62413210) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is N-[[3-[[cyclopropylmethyl(propan-2-yl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[3-[[cyclopropylmethyl(propan-2-yl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine
PubChem CID62413210
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC NameN-[[3-[[cyclopropylmethyl(propan-2-yl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1cccc(CN(CC2CC2)C(C)C)c1
InChIInChI=1S/C19H32N2/c1-15(2)11-20-12-18-6-5-7-19(10-18)14-21(16(3)4)13-17-8-9-17/h5-7,10,15-17,20H,8-9,11-14H2,1-4H3
InChIKeyZBFVVPVGVMZYQU-UHFFFAOYSA-N
XLogP4.05
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
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-(cyclopropylmethyl)-N-[[3-[(2-methylpropylamino)methyl]phenyl]methyl]cyclopropanamine
CID 64521279
N-[[3-[[cyclopropylmethyl(propan-2-yl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 62413208
N-[[3-[[cyclopentylmethyl(methyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine
CID 63657931
N-(cyclopropylmethyl)-N-[[4-(ethylaminomethyl)phenyl]methyl]propan-2-amine
CID 62412689
2-chloro-N-(cyclopropylmethyl)-4-[(2-methylpropylamino)methyl]-N-propan-2-ylaniline
CID 81144148
N-[[3-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]methyl]ethanamine
CID 63939316
N-[[4-[[cyclopropylmethyl(ethyl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine
CID 63939310
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
3-[(2-methylpropylamino)methyl]benzenesulfonyl fluoride
CID 153373569
N-cyclopropyl-N-(cyclopropylmethyl)-4-[(2-methylpropylamino)methyl]aniline
CID 64520020
N-[[3-[[cyclobutylmethyl(methyl)amino]methyl]-4-fluorophenyl]methyl]-2-methylpropan-1-amine
CID 107454897

Frequently Asked Questions

What is the IUPAC name of N-[[3-[[cyclopropylmethyl(propan-2-yl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[3-[[cyclopropylmethyl(propan-2-yl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine (CID 62413210) is N-[[3-[[cyclopropylmethyl(propan-2-yl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[3-[[cyclopropylmethyl(propan-2-yl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[3-[[cyclopropylmethyl(propan-2-yl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine is CC(C)CNCc1cccc(CN(CC2CC2)C(C)C)c1.
What is the InChIKey of N-[[3-[[cyclopropylmethyl(propan-2-yl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine?
The InChIKey is ZBFVVPVGVMZYQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-15(2)11-20-12-18-6-5-7-19(10-18)14-21(16(3)4)13-17-8-9-17/h5-7,10,15-17,20H,8-9,11-14H2,1-4H3.
What are the key properties of N-[[3-[[cyclopropylmethyl(propan-2-yl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine?
N-[[3-[[cyclopropylmethyl(propan-2-yl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine has a molecular weight of 288.48 g/mol, XLogP of 4.05, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[[cyclopropylmethyl(propan-2-yl)amino]methyl]phenyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 62413210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).