N,N-dimethyl-1-(2,4,5-trimethylcyclohexyl)methanamine

C12H25N — CID 547131

IUPACN,N-dimethyl-1-(2,4,5-trimethylcyclohexyl)methanamine
SMILESCC1CC(C)C(CN(C)C)CC1C
InChIInChI=1S/C12H25N/c1-9-6-11(3)12(7-10(9)2)8-13(4)5/h9-12H,6-8H2,1-5H3
InChIKeyXRHNITVXRLYQDE-UHFFFAOYSA-N
MW183.34 g/mol
LogP2.87
Rot. Bonds2

About N,N-dimethyl-1-(2,4,5-trimethylcyclohexyl)methanamine

N,N-dimethyl-1-(2,4,5-trimethylcyclohexyl)methanamine (PubChem CID 547131) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is N,N-dimethyl-1-(2,4,5-trimethylcyclohexyl)methanamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(2,4,5-trimethylcyclohexyl)methanamine
PubChem CID547131
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC NameN,N-dimethyl-1-(2,4,5-trimethylcyclohexyl)methanamine
SMILESCC1CC(C)C(CN(C)C)CC1C
InChIInChI=1S/C12H25N/c1-9-6-11(3)12(7-10(9)2)8-13(4)5/h9-12H,6-8H2,1-5H3
InChIKeyXRHNITVXRLYQDE-UHFFFAOYSA-N
XLogP2.87
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(2,4,5-trimethylcyclohexyl)methanamine?
The IUPAC name of N,N-dimethyl-1-(2,4,5-trimethylcyclohexyl)methanamine (CID 547131) is N,N-dimethyl-1-(2,4,5-trimethylcyclohexyl)methanamine.
What is the SMILES notation for N,N-dimethyl-1-(2,4,5-trimethylcyclohexyl)methanamine?
The canonical SMILES for N,N-dimethyl-1-(2,4,5-trimethylcyclohexyl)methanamine is CC1CC(C)C(CN(C)C)CC1C.
What is the InChIKey of N,N-dimethyl-1-(2,4,5-trimethylcyclohexyl)methanamine?
The InChIKey is XRHNITVXRLYQDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-9-6-11(3)12(7-10(9)2)8-13(4)5/h9-12H,6-8H2,1-5H3.
What are the key properties of N,N-dimethyl-1-(2,4,5-trimethylcyclohexyl)methanamine?
N,N-dimethyl-1-(2,4,5-trimethylcyclohexyl)methanamine has a molecular weight of 183.34 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(2,4,5-trimethylcyclohexyl)methanamine is sourced from PubChem (CID 547131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).