N-[[1-(methylaminomethyl)cyclopropyl]methyl]-1-(3-methylphenyl)methanamine

C14H22N2 — CID 115244764

IUPACN-[[1-(methylaminomethyl)cyclopropyl]methyl]-1-(3-methylphenyl)methanamine
SMILESCNCC1(CNCc2cccc(C)c2)CC1
InChIInChI=1S/C14H22N2/c1-12-4-3-5-13(8-12)9-16-11-14(6-7-14)10-15-2/h3-5,8,15-16H,6-7,9-11H2,1-2H3
InChIKeyJCGSLAOLIWJCLS-UHFFFAOYSA-N
MW218.34 g/mol
LogP2.08
Rot. Bonds6

About N-[[1-(methylaminomethyl)cyclopropyl]methyl]-1-(3-methylphenyl)methanamine

N-[[1-(methylaminomethyl)cyclopropyl]methyl]-1-(3-methylphenyl)methanamine (PubChem CID 115244764) has the molecular formula C14H22N2 and a molecular weight of 218.34 g/mol. Its IUPAC name is N-[[1-(methylaminomethyl)cyclopropyl]methyl]-1-(3-methylphenyl)methanamine.

Molecular Properties

Compound NameN-[[1-(methylaminomethyl)cyclopropyl]methyl]-1-(3-methylphenyl)methanamine
PubChem CID115244764
Molecular FormulaC14H22N2
Molecular Weight218.34 g/mol
Exact Mass218.18
IUPAC NameN-[[1-(methylaminomethyl)cyclopropyl]methyl]-1-(3-methylphenyl)methanamine
SMILESCNCC1(CNCc2cccc(C)c2)CC1
InChIInChI=1S/C14H22N2/c1-12-4-3-5-13(8-12)9-16-11-14(6-7-14)10-15-2/h3-5,8,15-16H,6-7,9-11H2,1-2H3
InChIKeyJCGSLAOLIWJCLS-UHFFFAOYSA-N
XLogP2.08
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-methyl-1-[1-[(3-methylphenyl)methyl]cyclopentyl]methanamine
CID 62724183
1-(3-methylphenyl)-N-[(1-methylsulfanylcyclobutyl)methyl]methanamine
CID 107266984
N-[(4-methyloxan-4-yl)methyl]-1-(3-methylphenyl)methanamine
CID 103743653
N-[[1-(methylaminomethyl)cyclopropyl]methyl]-1-(2,4,6-trimethylphenyl)methanamine
CID 115244718
1-(4-fluorophenyl)-N-[[1-(methylaminomethyl)cyclopropyl]methyl]methanamine
CID 115244695
N-[(1,4-dimethylpiperidin-4-yl)methyl]-1-(3-methylphenyl)methanamine
CID 103992171
4-[[(3-methylphenyl)methylamino]methyl]oxan-4-ol
CID 78928927
1-(4-tert-butylphenyl)-N-[[1-(methylaminomethyl)cyclopropyl]methyl]methanamine
CID 115244691
1-(2,5-dimethylphenyl)-N-[[1-(methylaminomethyl)cyclobutyl]methyl]methanamine
CID 115246164
N-methyl-1-[3-[(3-methylphenyl)methyl]oxolan-3-yl]methanamine
CID 62719007
1-(3-bromophenyl)-N-[(1-ethylcyclopropyl)methyl]methanamine
CID 103735508
1-methyl-N-[(3-methylphenyl)methyl]cyclopropan-1-amine
CID 115635136

Frequently Asked Questions

What is the IUPAC name of N-[[1-(methylaminomethyl)cyclopropyl]methyl]-1-(3-methylphenyl)methanamine?
The IUPAC name of N-[[1-(methylaminomethyl)cyclopropyl]methyl]-1-(3-methylphenyl)methanamine (CID 115244764) is N-[[1-(methylaminomethyl)cyclopropyl]methyl]-1-(3-methylphenyl)methanamine.
What is the SMILES notation for N-[[1-(methylaminomethyl)cyclopropyl]methyl]-1-(3-methylphenyl)methanamine?
The canonical SMILES for N-[[1-(methylaminomethyl)cyclopropyl]methyl]-1-(3-methylphenyl)methanamine is CNCC1(CNCc2cccc(C)c2)CC1.
What is the InChIKey of N-[[1-(methylaminomethyl)cyclopropyl]methyl]-1-(3-methylphenyl)methanamine?
The InChIKey is JCGSLAOLIWJCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2/c1-12-4-3-5-13(8-12)9-16-11-14(6-7-14)10-15-2/h3-5,8,15-16H,6-7,9-11H2,1-2H3.
What are the key properties of N-[[1-(methylaminomethyl)cyclopropyl]methyl]-1-(3-methylphenyl)methanamine?
N-[[1-(methylaminomethyl)cyclopropyl]methyl]-1-(3-methylphenyl)methanamine has a molecular weight of 218.34 g/mol, XLogP of 2.08, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(methylaminomethyl)cyclopropyl]methyl]-1-(3-methylphenyl)methanamine is sourced from PubChem (CID 115244764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).