2-(aminomethyl)-N-(cyclohexylmethyl)-N,5-dimethylaniline

C16H26N2 — CID 62307441

IUPAC2-(aminomethyl)-N-(cyclohexylmethyl)-N,5-dimethylaniline
SMILESCc1ccc(CN)c(N(C)CC2CCCCC2)c1
InChIInChI=1S/C16H26N2/c1-13-8-9-15(11-17)16(10-13)18(2)12-14-6-4-3-5-7-14/h8-10,14H,3-7,11-12,17H2,1-2H3
InChIKeyGPBUXRXQRYKYLJ-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.47
Rot. Bonds4

About 2-(aminomethyl)-N-(cyclohexylmethyl)-N,5-dimethylaniline

2-(aminomethyl)-N-(cyclohexylmethyl)-N,5-dimethylaniline (PubChem CID 62307441) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(cyclohexylmethyl)-N,5-dimethylaniline.

Molecular Properties

Compound Name2-(aminomethyl)-N-(cyclohexylmethyl)-N,5-dimethylaniline
PubChem CID62307441
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name2-(aminomethyl)-N-(cyclohexylmethyl)-N,5-dimethylaniline
SMILESCc1ccc(CN)c(N(C)CC2CCCCC2)c1
InChIInChI=1S/C16H26N2/c1-13-8-9-15(11-17)16(10-13)18(2)12-14-6-4-3-5-7-14/h8-10,14H,3-7,11-12,17H2,1-2H3
InChIKeyGPBUXRXQRYKYLJ-UHFFFAOYSA-N
XLogP3.47
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

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Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(cyclohexylmethyl)-N,5-dimethylaniline?
The IUPAC name of 2-(aminomethyl)-N-(cyclohexylmethyl)-N,5-dimethylaniline (CID 62307441) is 2-(aminomethyl)-N-(cyclohexylmethyl)-N,5-dimethylaniline.
What is the SMILES notation for 2-(aminomethyl)-N-(cyclohexylmethyl)-N,5-dimethylaniline?
The canonical SMILES for 2-(aminomethyl)-N-(cyclohexylmethyl)-N,5-dimethylaniline is Cc1ccc(CN)c(N(C)CC2CCCCC2)c1.
What is the InChIKey of 2-(aminomethyl)-N-(cyclohexylmethyl)-N,5-dimethylaniline?
The InChIKey is GPBUXRXQRYKYLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-13-8-9-15(11-17)16(10-13)18(2)12-14-6-4-3-5-7-14/h8-10,14H,3-7,11-12,17H2,1-2H3.
What are the key properties of 2-(aminomethyl)-N-(cyclohexylmethyl)-N,5-dimethylaniline?
2-(aminomethyl)-N-(cyclohexylmethyl)-N,5-dimethylaniline has a molecular weight of 246.40 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(cyclohexylmethyl)-N,5-dimethylaniline is sourced from PubChem (CID 62307441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).