N,N,2,2-tetramethyl-N'-(3-methylcyclohexyl)propane-1,3-diamine

C14H30N2 — CID 2846443

IUPACN,N,2,2-tetramethyl-N'-(3-methylcyclohexyl)propane-1,3-diamine
SMILESCC1CCCC(NCC(C)(C)CN(C)C)C1
InChIInChI=1S/C14H30N2/c1-12-7-6-8-13(9-12)15-10-14(2,3)11-16(4)5/h12-13,15H,6-11H2,1-5H3
InChIKeyFXQSOXZVJSHFRS-UHFFFAOYSA-N
MW226.41 g/mol
LogP2.74
Rot. Bonds5

About N,N,2,2-tetramethyl-N'-(3-methylcyclohexyl)propane-1,3-diamine

N,N,2,2-tetramethyl-N'-(3-methylcyclohexyl)propane-1,3-diamine (PubChem CID 2846443) has the molecular formula C14H30N2 and a molecular weight of 226.41 g/mol. Its IUPAC name is N,N,2,2-tetramethyl-N'-(3-methylcyclohexyl)propane-1,3-diamine.

Molecular Properties

Compound NameN,N,2,2-tetramethyl-N'-(3-methylcyclohexyl)propane-1,3-diamine
PubChem CID2846443
Molecular FormulaC14H30N2
Molecular Weight226.41 g/mol
Exact Mass226.24
IUPAC NameN,N,2,2-tetramethyl-N'-(3-methylcyclohexyl)propane-1,3-diamine
SMILESCC1CCCC(NCC(C)(C)CN(C)C)C1
InChIInChI=1S/C14H30N2/c1-12-7-6-8-13(9-12)15-10-14(2,3)11-16(4)5/h12-13,15H,6-11H2,1-5H3
InChIKeyFXQSOXZVJSHFRS-UHFFFAOYSA-N
XLogP2.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.41
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze N,N,2,2-tetramethyl-N'-(3-methylcyclohexyl)propane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N,2,2-tetramethyl-N'-(3-methylcyclohexyl)propane-1,3-diamine?
The IUPAC name of N,N,2,2-tetramethyl-N'-(3-methylcyclohexyl)propane-1,3-diamine (CID 2846443) is N,N,2,2-tetramethyl-N'-(3-methylcyclohexyl)propane-1,3-diamine.
What is the SMILES notation for N,N,2,2-tetramethyl-N'-(3-methylcyclohexyl)propane-1,3-diamine?
The canonical SMILES for N,N,2,2-tetramethyl-N'-(3-methylcyclohexyl)propane-1,3-diamine is CC1CCCC(NCC(C)(C)CN(C)C)C1.
What is the InChIKey of N,N,2,2-tetramethyl-N'-(3-methylcyclohexyl)propane-1,3-diamine?
The InChIKey is FXQSOXZVJSHFRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2/c1-12-7-6-8-13(9-12)15-10-14(2,3)11-16(4)5/h12-13,15H,6-11H2,1-5H3.
What are the key properties of N,N,2,2-tetramethyl-N'-(3-methylcyclohexyl)propane-1,3-diamine?
N,N,2,2-tetramethyl-N'-(3-methylcyclohexyl)propane-1,3-diamine has a molecular weight of 226.41 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2,2-tetramethyl-N'-(3-methylcyclohexyl)propane-1,3-diamine is sourced from PubChem (CID 2846443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).