N-[1-(aminomethyl)-3-methylcyclohexyl]-3-methylaniline

C15H24N2 — CID 65379249

IUPACN-[1-(aminomethyl)-3-methylcyclohexyl]-3-methylaniline
SMILESCc1cccc(NC2(CN)CCCC(C)C2)c1
InChIInChI=1S/C15H24N2/c1-12-5-3-7-14(9-12)17-15(11-16)8-4-6-13(2)10-15/h3,5,7,9,13,17H,4,6,8,10-11,16H2,1-2H3
InChIKeyPQZXIBDMNATQHM-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.31
Rot. Bonds3

About N-[1-(aminomethyl)-3-methylcyclohexyl]-3-methylaniline

N-[1-(aminomethyl)-3-methylcyclohexyl]-3-methylaniline (PubChem CID 65379249) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is N-[1-(aminomethyl)-3-methylcyclohexyl]-3-methylaniline.

Molecular Properties

Compound NameN-[1-(aminomethyl)-3-methylcyclohexyl]-3-methylaniline
PubChem CID65379249
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC NameN-[1-(aminomethyl)-3-methylcyclohexyl]-3-methylaniline
SMILESCc1cccc(NC2(CN)CCCC(C)C2)c1
InChIInChI=1S/C15H24N2/c1-12-5-3-7-14(9-12)17-15(11-16)8-4-6-13(2)10-15/h3,5,7,9,13,17H,4,6,8,10-11,16H2,1-2H3
InChIKeyPQZXIBDMNATQHM-UHFFFAOYSA-N
XLogP3.31
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(aminomethyl)-3-methylcyclopentyl]-3-chloroaniline
CID 65385077
1-(aminomethyl)-N-(3-fluorophenyl)-4-methylcycloheptan-1-amine
CID 65383824
N-[1-(aminomethyl)-2,3-dimethylcyclohexyl]-3-methylaniline
CID 65378408
3-methyl-1-(3-methylanilino)cyclohexane-1-carboxylic acid
CID 60993631
N-[1-(aminomethyl)-3-ethoxycyclobutyl]-3-methylaniline
CID 106822170
3-(aminomethyl)-N-(3-methylphenyl)oxolan-3-amine
CID 65377574
4-[[1-(aminomethyl)-3-methylcyclohexyl]amino]benzenesulfonamide
CID 63759832
N-[1-(aminomethyl)-3-(2-methylpropyl)cyclohexyl]-3-chloroaniline
CID 107429079
N-[1-(aminomethyl)-3-methylcyclohexyl]-2-fluoroaniline
CID 65376483
N-[1-(aminomethyl)-3-cyclopropylcyclohexyl]-3-chloroaniline
CID 65384023
[1-(aminomethyl)-3-methylcyclohexyl]-(3-methylphenyl)methanol
CID 79138054
N-[1-(aminomethyl)-3-methylcyclohexyl]-3-bromoquinolin-8-amine
CID 116783775

Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-3-methylcyclohexyl]-3-methylaniline?
The IUPAC name of N-[1-(aminomethyl)-3-methylcyclohexyl]-3-methylaniline (CID 65379249) is N-[1-(aminomethyl)-3-methylcyclohexyl]-3-methylaniline.
What is the SMILES notation for N-[1-(aminomethyl)-3-methylcyclohexyl]-3-methylaniline?
The canonical SMILES for N-[1-(aminomethyl)-3-methylcyclohexyl]-3-methylaniline is Cc1cccc(NC2(CN)CCCC(C)C2)c1.
What is the InChIKey of N-[1-(aminomethyl)-3-methylcyclohexyl]-3-methylaniline?
The InChIKey is PQZXIBDMNATQHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-12-5-3-7-14(9-12)17-15(11-16)8-4-6-13(2)10-15/h3,5,7,9,13,17H,4,6,8,10-11,16H2,1-2H3.
What are the key properties of N-[1-(aminomethyl)-3-methylcyclohexyl]-3-methylaniline?
N-[1-(aminomethyl)-3-methylcyclohexyl]-3-methylaniline has a molecular weight of 232.37 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-3-methylcyclohexyl]-3-methylaniline is sourced from PubChem (CID 65379249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).