N'-(cyclopropylmethyl)-N'-methyl-1-phenylmethanediamine

C12H18N2 — CID 156529425

IUPACN'-(cyclopropylmethyl)-N'-methyl-1-phenylmethanediamine
SMILESCN(CC1CC1)C(N)c1ccccc1
InChIInChI=1S/C12H18N2/c1-14(9-10-7-8-10)12(13)11-5-3-2-4-6-11/h2-6,10,12H,7-9,13H2,1H3
InChIKeyVWYBHJSDXASUTL-UHFFFAOYSA-N
MW190.29 g/mol
LogP1.99
Rot. Bonds4

About N'-(cyclopropylmethyl)-N'-methyl-1-phenylmethanediamine

N'-(cyclopropylmethyl)-N'-methyl-1-phenylmethanediamine (PubChem CID 156529425) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is N'-(cyclopropylmethyl)-N'-methyl-1-phenylmethanediamine.

Molecular Properties

Compound NameN'-(cyclopropylmethyl)-N'-methyl-1-phenylmethanediamine
PubChem CID156529425
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC NameN'-(cyclopropylmethyl)-N'-methyl-1-phenylmethanediamine
SMILESCN(CC1CC1)C(N)c1ccccc1
InChIInChI=1S/C12H18N2/c1-14(9-10-7-8-10)12(13)11-5-3-2-4-6-11/h2-6,10,12H,7-9,13H2,1H3
InChIKeyVWYBHJSDXASUTL-UHFFFAOYSA-N
XLogP1.99
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

N-(cyclopentylmethyl)-N-methyl-1-phenylethanamine
CID 78880741
N'-benzyl-N'-methyl-1-phenylmethanediamine
CID 118464289
2-[cyclopropylmethyl(methyl)amino]-1-phenylethanol
CID 60971117
3-amino-N-(cyclopropylmethyl)-N,2-dimethyl-3-phenylpropanamide;hydrochloride
CID 119737873
N-methyl-N-(oxan-4-ylmethyl)-1-phenylpropane-1,3-diamine
CID 63726962
1-(3-bromophenyl)-1-N-(cyclopropylmethyl)-1-N-methylpropane-1,2-diamine
CID 55019916
2-[cyclohexylmethyl(methyl)amino]-2-phenylacetic acid
CID 61446245
3-[cyclobutylmethyl(methyl)amino]-3-phenylpropan-1-ol
CID 111489141
N'-cyclopropyl-N'-(cyclopropylmethyl)-2-methyl-1-phenylpropane-1,3-diamine
CID 64521866
2-N-(cyclopropylmethyl)-2-N-ethyl-3-methyl-1-phenylbutane-1,2-diamine
CID 63954327
3-[1-[cyclopentylmethyl(methyl)amino]ethyl]aniline
CID 63632090
1-N-(cyclopropylmethyl)-1-N-methyl-1-(2-methylphenyl)butane-1,2-diamine
CID 55017993

Frequently Asked Questions

What is the IUPAC name of N'-(cyclopropylmethyl)-N'-methyl-1-phenylmethanediamine?
The IUPAC name of N'-(cyclopropylmethyl)-N'-methyl-1-phenylmethanediamine (CID 156529425) is N'-(cyclopropylmethyl)-N'-methyl-1-phenylmethanediamine.
What is the SMILES notation for N'-(cyclopropylmethyl)-N'-methyl-1-phenylmethanediamine?
The canonical SMILES for N'-(cyclopropylmethyl)-N'-methyl-1-phenylmethanediamine is CN(CC1CC1)C(N)c1ccccc1.
What is the InChIKey of N'-(cyclopropylmethyl)-N'-methyl-1-phenylmethanediamine?
The InChIKey is VWYBHJSDXASUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-14(9-10-7-8-10)12(13)11-5-3-2-4-6-11/h2-6,10,12H,7-9,13H2,1H3.
What are the key properties of N'-(cyclopropylmethyl)-N'-methyl-1-phenylmethanediamine?
N'-(cyclopropylmethyl)-N'-methyl-1-phenylmethanediamine has a molecular weight of 190.29 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclopropylmethyl)-N'-methyl-1-phenylmethanediamine is sourced from PubChem (CID 156529425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).