N-[(2-aminocyclohexyl)methyl]-N,3-dimethylaniline

C15H24N2 — CID 62616722

IUPACN-[(2-aminocyclohexyl)methyl]-N,3-dimethylaniline
SMILESCc1cccc(N(C)CC2CCCCC2N)c1
InChIInChI=1S/C15H24N2/c1-12-6-5-8-14(10-12)17(2)11-13-7-3-4-9-15(13)16/h5-6,8,10,13,15H,3-4,7,9,11,16H2,1-2H3
InChIKeyMBZWCPAOPWFPGV-UHFFFAOYSA-N
MW232.37 g/mol
LogP2.95
Rot. Bonds3

About N-[(2-aminocyclohexyl)methyl]-N,3-dimethylaniline

N-[(2-aminocyclohexyl)methyl]-N,3-dimethylaniline (PubChem CID 62616722) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is N-[(2-aminocyclohexyl)methyl]-N,3-dimethylaniline.

Molecular Properties

Compound NameN-[(2-aminocyclohexyl)methyl]-N,3-dimethylaniline
PubChem CID62616722
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC NameN-[(2-aminocyclohexyl)methyl]-N,3-dimethylaniline
SMILESCc1cccc(N(C)CC2CCCCC2N)c1
InChIInChI=1S/C15H24N2/c1-12-6-5-8-14(10-12)17(2)11-13-7-3-4-9-15(13)16/h5-6,8,10,13,15H,3-4,7,9,11,16H2,1-2H3
InChIKeyMBZWCPAOPWFPGV-UHFFFAOYSA-N
XLogP2.95
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-aminocyclohexyl)methyl]-N,3-dimethylaniline?
The IUPAC name of N-[(2-aminocyclohexyl)methyl]-N,3-dimethylaniline (CID 62616722) is N-[(2-aminocyclohexyl)methyl]-N,3-dimethylaniline.
What is the SMILES notation for N-[(2-aminocyclohexyl)methyl]-N,3-dimethylaniline?
The canonical SMILES for N-[(2-aminocyclohexyl)methyl]-N,3-dimethylaniline is Cc1cccc(N(C)CC2CCCCC2N)c1.
What is the InChIKey of N-[(2-aminocyclohexyl)methyl]-N,3-dimethylaniline?
The InChIKey is MBZWCPAOPWFPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-12-6-5-8-14(10-12)17(2)11-13-7-3-4-9-15(13)16/h5-6,8,10,13,15H,3-4,7,9,11,16H2,1-2H3.
What are the key properties of N-[(2-aminocyclohexyl)methyl]-N,3-dimethylaniline?
N-[(2-aminocyclohexyl)methyl]-N,3-dimethylaniline has a molecular weight of 232.37 g/mol, XLogP of 2.95, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-aminocyclohexyl)methyl]-N,3-dimethylaniline is sourced from PubChem (CID 62616722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).