N-[[2-[[cyclobutylmethyl(methyl)amino]methyl]phenyl]methyl]cyclopropanamine

C17H26N2 — CID 62856940

IUPACN-[[2-[[cyclobutylmethyl(methyl)amino]methyl]phenyl]methyl]cyclopropanamine
SMILESCN(Cc1ccccc1CNC1CC1)CC1CCC1
InChIInChI=1S/C17H26N2/c1-19(12-14-5-4-6-14)13-16-8-3-2-7-15(16)11-18-17-9-10-17/h2-3,7-8,14,17-18H,4-6,9-13H2,1H3
InChIKeyUZBIOXHBTCEDLE-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.17
Rot. Bonds7

About N-[[2-[[cyclobutylmethyl(methyl)amino]methyl]phenyl]methyl]cyclopropanamine

N-[[2-[[cyclobutylmethyl(methyl)amino]methyl]phenyl]methyl]cyclopropanamine (PubChem CID 62856940) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is N-[[2-[[cyclobutylmethyl(methyl)amino]methyl]phenyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-[[cyclobutylmethyl(methyl)amino]methyl]phenyl]methyl]cyclopropanamine
PubChem CID62856940
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC NameN-[[2-[[cyclobutylmethyl(methyl)amino]methyl]phenyl]methyl]cyclopropanamine
SMILESCN(Cc1ccccc1CNC1CC1)CC1CCC1
InChIInChI=1S/C17H26N2/c1-19(12-14-5-4-6-14)13-16-8-3-2-7-15(16)11-18-17-9-10-17/h2-3,7-8,14,17-18H,4-6,9-13H2,1H3
InChIKeyUZBIOXHBTCEDLE-UHFFFAOYSA-N
XLogP3.17
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-[[cyclohexylmethyl(methyl)amino]methyl]phenyl]methyl]ethanamine
CID 62413781
N-[[2-[[cyclobutylmethyl(methyl)amino]methyl]furan-3-yl]methyl]cyclopropanamine
CID 62854572
N-[[2-[(cyclopropylamino)methyl]phenyl]methyl]-N,1-dimethylpiperidin-3-amine
CID 62545615
N-[[3-bromo-4-[[cyclobutylmethyl(methyl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 102770756
N-[[2-[[cyclohexylmethyl(methyl)amino]methyl]furan-3-yl]methyl]cyclopropanamine
CID 62411488
2-[[cyclopentylmethyl(methyl)amino]methyl]aniline
CID 61343922
N-[[2-[[methyl(2-thiophen-2-ylethyl)amino]methyl]phenyl]methyl]cyclopropanamine
CID 79490840
N-[2-[2-[[cyclopropylmethyl(methyl)amino]methyl]phenyl]ethyl]propan-2-amine
CID 115463794
N-[[2-[[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]methyl]phenyl]methyl]propan-2-amine
CID 63274805
2-[2-[[cyclopropylmethyl(methyl)amino]methyl]phenyl]acetohydrazide
CID 115465383
3-[[(2-chlorophenyl)methyl-methylamino]methyl]cyclohexan-1-amine
CID 55145979
N-[(2-bromophenyl)methyl]-1-cyclopropyl-N-methylmethanamine
CID 60965915

Frequently Asked Questions

What is the IUPAC name of N-[[2-[[cyclobutylmethyl(methyl)amino]methyl]phenyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-[[cyclobutylmethyl(methyl)amino]methyl]phenyl]methyl]cyclopropanamine (CID 62856940) is N-[[2-[[cyclobutylmethyl(methyl)amino]methyl]phenyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-[[cyclobutylmethyl(methyl)amino]methyl]phenyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-[[cyclobutylmethyl(methyl)amino]methyl]phenyl]methyl]cyclopropanamine is CN(Cc1ccccc1CNC1CC1)CC1CCC1.
What is the InChIKey of N-[[2-[[cyclobutylmethyl(methyl)amino]methyl]phenyl]methyl]cyclopropanamine?
The InChIKey is UZBIOXHBTCEDLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-19(12-14-5-4-6-14)13-16-8-3-2-7-15(16)11-18-17-9-10-17/h2-3,7-8,14,17-18H,4-6,9-13H2,1H3.
What are the key properties of N-[[2-[[cyclobutylmethyl(methyl)amino]methyl]phenyl]methyl]cyclopropanamine?
N-[[2-[[cyclobutylmethyl(methyl)amino]methyl]phenyl]methyl]cyclopropanamine has a molecular weight of 258.41 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[[cyclobutylmethyl(methyl)amino]methyl]phenyl]methyl]cyclopropanamine is sourced from PubChem (CID 62856940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).