4-(aminomethyl)-N,3-dimethyl-N-(3-methylcyclohexyl)aniline

C16H26N2 — CID 62136395

IUPAC4-(aminomethyl)-N,3-dimethyl-N-(3-methylcyclohexyl)aniline
SMILESCc1cc(N(C)C2CCCC(C)C2)ccc1CN
InChIInChI=1S/C16H26N2/c1-12-5-4-6-15(9-12)18(3)16-8-7-14(11-17)13(2)10-16/h7-8,10,12,15H,4-6,9,11,17H2,1-3H3
InChIKeyKOLABOWWSBARRI-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.47
Rot. Bonds3

About 4-(aminomethyl)-N,3-dimethyl-N-(3-methylcyclohexyl)aniline

4-(aminomethyl)-N,3-dimethyl-N-(3-methylcyclohexyl)aniline (PubChem CID 62136395) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 4-(aminomethyl)-N,3-dimethyl-N-(3-methylcyclohexyl)aniline.

Molecular Properties

Compound Name4-(aminomethyl)-N,3-dimethyl-N-(3-methylcyclohexyl)aniline
PubChem CID62136395
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name4-(aminomethyl)-N,3-dimethyl-N-(3-methylcyclohexyl)aniline
SMILESCc1cc(N(C)C2CCCC(C)C2)ccc1CN
InChIInChI=1S/C16H26N2/c1-12-5-4-6-15(9-12)18(3)16-8-7-14(11-17)13(2)10-16/h7-8,10,12,15H,4-6,9,11,17H2,1-3H3
InChIKeyKOLABOWWSBARRI-UHFFFAOYSA-N
XLogP3.47
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-(2-aminobutyl)-N,3-dimethyl-N-(3-methylcyclohexyl)aniline
CID 63815618
2-(aminomethyl)-N,5-dimethyl-N-(3-methylcyclohexyl)aniline
CID 62307780
4-(2-aminoethyl)-N-cyclohexyl-N,3-dimethylaniline
CID 63783720
4-(2-aminoethyl)-N,3-dimethyl-N-(4-methylcyclohexyl)aniline
CID 63786709
4-(bromomethyl)-N-methyl-N-(3-methylcyclohexyl)aniline
CID 107081489
N-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]-N,3-dimethylcyclohexan-1-amine
CID 55073646
4-(2-aminobutyl)-N,3-dimethyl-N-(4-methylcyclohexyl)aniline
CID 63815146
N-[[4-(aminomethyl)-2-fluorophenyl]methyl]-N,3-dimethylcyclohexan-1-amine
CID 61444590
4-(aminomethyl)-N-cyclopropyl-3-methyl-N-(2,2,2-trifluoroethyl)aniline
CID 62128950
4-N-cyclopentyl-4-N,2-dimethylbenzene-1,4-diamine
CID 43436341
4-(aminomethyl)-N-cyclopropyl-N-(2-methoxyethyl)-3-methylaniline
CID 62135216
1-[2-(aminomethyl)phenyl]-N-methyl-N-(3-methylcyclohexyl)methanesulfonamide
CID 61446862

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N,3-dimethyl-N-(3-methylcyclohexyl)aniline?
The IUPAC name of 4-(aminomethyl)-N,3-dimethyl-N-(3-methylcyclohexyl)aniline (CID 62136395) is 4-(aminomethyl)-N,3-dimethyl-N-(3-methylcyclohexyl)aniline.
What is the SMILES notation for 4-(aminomethyl)-N,3-dimethyl-N-(3-methylcyclohexyl)aniline?
The canonical SMILES for 4-(aminomethyl)-N,3-dimethyl-N-(3-methylcyclohexyl)aniline is Cc1cc(N(C)C2CCCC(C)C2)ccc1CN.
What is the InChIKey of 4-(aminomethyl)-N,3-dimethyl-N-(3-methylcyclohexyl)aniline?
The InChIKey is KOLABOWWSBARRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-12-5-4-6-15(9-12)18(3)16-8-7-14(11-17)13(2)10-16/h7-8,10,12,15H,4-6,9,11,17H2,1-3H3.
What are the key properties of 4-(aminomethyl)-N,3-dimethyl-N-(3-methylcyclohexyl)aniline?
4-(aminomethyl)-N,3-dimethyl-N-(3-methylcyclohexyl)aniline has a molecular weight of 246.40 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N,3-dimethyl-N-(3-methylcyclohexyl)aniline is sourced from PubChem (CID 62136395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).