N-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-N,4-dimethylaniline

C17H28N2 — CID 79847909

IUPACN-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-N,4-dimethylaniline
SMILESCc1ccc(N(C)C2(CN)CCCCC2(C)C)cc1
InChIInChI=1S/C17H28N2/c1-14-7-9-15(10-8-14)19(4)17(13-18)12-6-5-11-16(17,2)3/h7-10H,5-6,11-13,18H2,1-4H3
InChIKeyXXHSAXMWBIDICK-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.73
Rot. Bonds3

About N-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-N,4-dimethylaniline

N-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-N,4-dimethylaniline (PubChem CID 79847909) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is N-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-N,4-dimethylaniline.

Molecular Properties

Compound NameN-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-N,4-dimethylaniline
PubChem CID79847909
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC NameN-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-N,4-dimethylaniline
SMILESCc1ccc(N(C)C2(CN)CCCCC2(C)C)cc1
InChIInChI=1S/C17H28N2/c1-14-7-9-15(10-8-14)19(4)17(13-18)12-6-5-11-16(17,2)3/h7-10H,5-6,11-13,18H2,1-4H3
InChIKeyXXHSAXMWBIDICK-UHFFFAOYSA-N
XLogP3.73
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-N,4-dimethylaniline?
The IUPAC name of N-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-N,4-dimethylaniline (CID 79847909) is N-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-N,4-dimethylaniline.
What is the SMILES notation for N-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-N,4-dimethylaniline?
The canonical SMILES for N-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-N,4-dimethylaniline is Cc1ccc(N(C)C2(CN)CCCCC2(C)C)cc1.
What is the InChIKey of N-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-N,4-dimethylaniline?
The InChIKey is XXHSAXMWBIDICK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-14-7-9-15(10-8-14)19(4)17(13-18)12-6-5-11-16(17,2)3/h7-10H,5-6,11-13,18H2,1-4H3.
What are the key properties of N-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-N,4-dimethylaniline?
N-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-N,4-dimethylaniline has a molecular weight of 260.43 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)-2,2-dimethylcyclohexyl]-N,4-dimethylaniline is sourced from PubChem (CID 79847909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).