1-[1-(aminomethyl)cyclopropyl]-N-methyl-1-(4-methylphenyl)methanamine

C13H20N2 — CID 116958371

IUPAC1-[1-(aminomethyl)cyclopropyl]-N-methyl-1-(4-methylphenyl)methanamine
SMILESCNC(c1ccc(C)cc1)C1(CN)CC1
InChIInChI=1S/C13H20N2/c1-10-3-5-11(6-4-10)12(15-2)13(9-14)7-8-13/h3-6,12,15H,7-9,14H2,1-2H3
InChIKeyYBXFROJROKIEFW-UHFFFAOYSA-N
MW204.32 g/mol
LogP1.99
Rot. Bonds4

About 1-[1-(aminomethyl)cyclopropyl]-N-methyl-1-(4-methylphenyl)methanamine

1-[1-(aminomethyl)cyclopropyl]-N-methyl-1-(4-methylphenyl)methanamine (PubChem CID 116958371) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 1-[1-(aminomethyl)cyclopropyl]-N-methyl-1-(4-methylphenyl)methanamine.

Molecular Properties

Compound Name1-[1-(aminomethyl)cyclopropyl]-N-methyl-1-(4-methylphenyl)methanamine
PubChem CID116958371
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name1-[1-(aminomethyl)cyclopropyl]-N-methyl-1-(4-methylphenyl)methanamine
SMILESCNC(c1ccc(C)cc1)C1(CN)CC1
InChIInChI=1S/C13H20N2/c1-10-3-5-11(6-4-10)12(15-2)13(9-14)7-8-13/h3-6,12,15H,7-9,14H2,1-2H3
InChIKeyYBXFROJROKIEFW-UHFFFAOYSA-N
XLogP1.99
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(aminomethyl)cyclopropyl]-N-methyl-1-naphthalen-2-ylmethanamine
CID 116958499
1-[1-(aminomethyl)cyclobutyl]-1-(4-fluoro-3-methylphenyl)-N-methylmethanamine
CID 116958754
1-[1-(aminomethyl)cyclobutyl]-1-(2,4-dimethylphenyl)-N-methylmethanamine
CID 116958764
[1-(aminomethyl)cyclopentyl]-(4-methylphenyl)methanol
CID 79137754
[(4-methylphenyl)-[1-(2-methylpropyl)cyclopentyl]methyl]hydrazine
CID 105285386
1-(4-fluorophenyl)-N-methyl-1-[1-(methylaminomethyl)cyclopropyl]methanamine
CID 116958521
1-[1-(aminomethyl)cyclobutyl]-1-(3-methoxyphenyl)-N-methylmethanamine
CID 116958827
1-[1-(aminomethyl)cyclobutyl]-1-(2-bromophenyl)-N-methylmethanamine
CID 116958838
[(1-methoxycyclopentyl)-(4-methylphenyl)methyl]hydrazine
CID 105268611
1-[hydrazinyl-(4-methylphenyl)methyl]-N,N-dimethylcycloheptan-1-amine
CID 105243774
1-[hydrazinyl-(4-methylphenyl)methyl]-N,N-dimethylcyclohexan-1-amine
CID 105243191
N-methyl-1-[1-(methylaminomethyl)cyclobutyl]-1-phenylmethanamine
CID 116958853

Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)cyclopropyl]-N-methyl-1-(4-methylphenyl)methanamine?
The IUPAC name of 1-[1-(aminomethyl)cyclopropyl]-N-methyl-1-(4-methylphenyl)methanamine (CID 116958371) is 1-[1-(aminomethyl)cyclopropyl]-N-methyl-1-(4-methylphenyl)methanamine.
What is the SMILES notation for 1-[1-(aminomethyl)cyclopropyl]-N-methyl-1-(4-methylphenyl)methanamine?
The canonical SMILES for 1-[1-(aminomethyl)cyclopropyl]-N-methyl-1-(4-methylphenyl)methanamine is CNC(c1ccc(C)cc1)C1(CN)CC1.
What is the InChIKey of 1-[1-(aminomethyl)cyclopropyl]-N-methyl-1-(4-methylphenyl)methanamine?
The InChIKey is YBXFROJROKIEFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-10-3-5-11(6-4-10)12(15-2)13(9-14)7-8-13/h3-6,12,15H,7-9,14H2,1-2H3.
What are the key properties of 1-[1-(aminomethyl)cyclopropyl]-N-methyl-1-(4-methylphenyl)methanamine?
1-[1-(aminomethyl)cyclopropyl]-N-methyl-1-(4-methylphenyl)methanamine has a molecular weight of 204.32 g/mol, XLogP of 1.99, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)cyclopropyl]-N-methyl-1-(4-methylphenyl)methanamine is sourced from PubChem (CID 116958371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).