trans-(1S,2S)-2-N,2-N-bis(3,3-dimethylbutyl)cyclohexane-1,2-diamine

C18H38N2 — CID 68502768

IUPACtrans-(1S,2S)-2-N,2-N-bis(3,3-dimethylbutyl)cyclohexane-1,2-diamine
SMILESCC(C)(C)CCN(CCC(C)(C)C)[C@H]1CCCC[C@@H]1N
InChIInChI=1S/C18H38N2/c1-17(2,3)11-13-20(14-12-18(4,5)6)16-10-8-7-9-15(16)19/h15-16H,7-14,19H2,1-6H3/t15-,16-/m0/s1
InChIKeyMUKGFWMNLVGFDL-HOTGVXAUSA-N
MW282.52 g/mol
LogP4.43
Rot. Bonds5

About trans-(1S,2S)-2-N,2-N-bis(3,3-dimethylbutyl)cyclohexane-1,2-diamine

trans-(1S,2S)-2-N,2-N-bis(3,3-dimethylbutyl)cyclohexane-1,2-diamine (PubChem CID 68502768) has the molecular formula C18H38N2 and a molecular weight of 282.52 g/mol. Its IUPAC name is trans-(1S,2S)-2-N,2-N-bis(3,3-dimethylbutyl)cyclohexane-1,2-diamine.

Molecular Properties

Compound Nametrans-(1S,2S)-2-N,2-N-bis(3,3-dimethylbutyl)cyclohexane-1,2-diamine
PubChem CID68502768
Molecular FormulaC18H38N2
Molecular Weight282.52 g/mol
Exact Mass282.30
IUPAC Nametrans-(1S,2S)-2-N,2-N-bis(3,3-dimethylbutyl)cyclohexane-1,2-diamine
SMILESCC(C)(C)CCN(CCC(C)(C)C)[C@H]1CCCC[C@@H]1N
InChIInChI=1S/C18H38N2/c1-17(2,3)11-13-20(14-12-18(4,5)6)16-10-8-7-9-15(16)19/h15-16H,7-14,19H2,1-6H3/t15-,16-/m0/s1
InChIKeyMUKGFWMNLVGFDL-HOTGVXAUSA-N
XLogP4.43
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.52
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze trans-(1S,2S)-2-N,2-N-bis(3,3-dimethylbutyl)cyclohexane-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-(1S,2S)-2-N,2-N-bis(3,3-dimethylbutyl)cyclohexane-1,2-diamine?
The IUPAC name of trans-(1S,2S)-2-N,2-N-bis(3,3-dimethylbutyl)cyclohexane-1,2-diamine (CID 68502768) is trans-(1S,2S)-2-N,2-N-bis(3,3-dimethylbutyl)cyclohexane-1,2-diamine.
What is the SMILES notation for trans-(1S,2S)-2-N,2-N-bis(3,3-dimethylbutyl)cyclohexane-1,2-diamine?
The canonical SMILES for trans-(1S,2S)-2-N,2-N-bis(3,3-dimethylbutyl)cyclohexane-1,2-diamine is CC(C)(C)CCN(CCC(C)(C)C)[C@H]1CCCC[C@@H]1N.
What is the InChIKey of trans-(1S,2S)-2-N,2-N-bis(3,3-dimethylbutyl)cyclohexane-1,2-diamine?
The InChIKey is MUKGFWMNLVGFDL-HOTGVXAUSA-N. The full InChI is InChI=1S/C18H38N2/c1-17(2,3)11-13-20(14-12-18(4,5)6)16-10-8-7-9-15(16)19/h15-16H,7-14,19H2,1-6H3/t15-,16-/m0/s1.
What are the key properties of trans-(1S,2S)-2-N,2-N-bis(3,3-dimethylbutyl)cyclohexane-1,2-diamine?
trans-(1S,2S)-2-N,2-N-bis(3,3-dimethylbutyl)cyclohexane-1,2-diamine has a molecular weight of 282.52 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-2-N,2-N-bis(3,3-dimethylbutyl)cyclohexane-1,2-diamine is sourced from PubChem (CID 68502768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).