trans-(1R,2R)-1-N,1-N,2-N-trimethyl-2-N-propylcyclohexane-1,2-diamine

C12H26N2 — CID 102294439

IUPACtrans-(1R,2R)-1-N,1-N,2-N-trimethyl-2-N-propylcyclohexane-1,2-diamine
SMILESCCCN(C)[C@@H]1CCCC[C@H]1N(C)C
InChIInChI=1S/C12H26N2/c1-5-10-14(4)12-9-7-6-8-11(12)13(2)3/h11-12H,5-10H2,1-4H3/t11-,12-/m1/s1
InChIKeyHGLOTYYKSIVTQL-VXGBXAGGSA-N
MW198.35 g/mol
LogP2.20
Rot. Bonds4

About trans-(1R,2R)-1-N,1-N,2-N-trimethyl-2-N-propylcyclohexane-1,2-diamine

trans-(1R,2R)-1-N,1-N,2-N-trimethyl-2-N-propylcyclohexane-1,2-diamine (PubChem CID 102294439) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is trans-(1R,2R)-1-N,1-N,2-N-trimethyl-2-N-propylcyclohexane-1,2-diamine.

Molecular Properties

Compound Nametrans-(1R,2R)-1-N,1-N,2-N-trimethyl-2-N-propylcyclohexane-1,2-diamine
PubChem CID102294439
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Nametrans-(1R,2R)-1-N,1-N,2-N-trimethyl-2-N-propylcyclohexane-1,2-diamine
SMILESCCCN(C)[C@@H]1CCCC[C@H]1N(C)C
InChIInChI=1S/C12H26N2/c1-5-10-14(4)12-9-7-6-8-11(12)13(2)3/h11-12H,5-10H2,1-4H3/t11-,12-/m1/s1
InChIKeyHGLOTYYKSIVTQL-VXGBXAGGSA-N
XLogP2.20
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze trans-(1R,2R)-1-N,1-N,2-N-trimethyl-2-N-propylcyclohexane-1,2-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 trans-(1R,2R)-1-N,1-N,2-N-trimethyl-2-N-propylcyclohexane-1,2-diamine?
The IUPAC name of trans-(1R,2R)-1-N,1-N,2-N-trimethyl-2-N-propylcyclohexane-1,2-diamine (CID 102294439) is trans-(1R,2R)-1-N,1-N,2-N-trimethyl-2-N-propylcyclohexane-1,2-diamine.
What is the SMILES notation for trans-(1R,2R)-1-N,1-N,2-N-trimethyl-2-N-propylcyclohexane-1,2-diamine?
The canonical SMILES for trans-(1R,2R)-1-N,1-N,2-N-trimethyl-2-N-propylcyclohexane-1,2-diamine is CCCN(C)[C@@H]1CCCC[C@H]1N(C)C.
What is the InChIKey of trans-(1R,2R)-1-N,1-N,2-N-trimethyl-2-N-propylcyclohexane-1,2-diamine?
The InChIKey is HGLOTYYKSIVTQL-VXGBXAGGSA-N. The full InChI is InChI=1S/C12H26N2/c1-5-10-14(4)12-9-7-6-8-11(12)13(2)3/h11-12H,5-10H2,1-4H3/t11-,12-/m1/s1.
What are the key properties of trans-(1R,2R)-1-N,1-N,2-N-trimethyl-2-N-propylcyclohexane-1,2-diamine?
trans-(1R,2R)-1-N,1-N,2-N-trimethyl-2-N-propylcyclohexane-1,2-diamine has a molecular weight of 198.35 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-1-N,1-N,2-N-trimethyl-2-N-propylcyclohexane-1,2-diamine is sourced from PubChem (CID 102294439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).