2-N,4,5,6-tetramethyl-8-N,5-di(pentan-2-yl)nonane-2,8-diamine

C23H50N2 — CID 170105864

IUPAC2-N,4,5,6-tetramethyl-8-N,5-di(pentan-2-yl)nonane-2,8-diamine
SMILESCCCC(C)NC(C)CC(C)C(C)(C(C)CCC)C(C)CC(C)NC
InChIInChI=1S/C23H50N2/c1-11-13-17(3)23(9,18(4)15-21(7)24-10)19(5)16-22(8)25-20(6)14-12-2/h17-22,24-25H,11-16H2,1-10H3
InChIKeyLUYHXBADADALJJ-UHFFFAOYSA-N
MW354.67 g/mol
LogP6.26
Rot. Bonds14

About 2-N,4,5,6-tetramethyl-8-N,5-di(pentan-2-yl)nonane-2,8-diamine

2-N,4,5,6-tetramethyl-8-N,5-di(pentan-2-yl)nonane-2,8-diamine (PubChem CID 170105864) has the molecular formula C23H50N2 and a molecular weight of 354.67 g/mol. Its IUPAC name is 2-N,4,5,6-tetramethyl-8-N,5-di(pentan-2-yl)nonane-2,8-diamine.

Molecular Properties

Compound Name2-N,4,5,6-tetramethyl-8-N,5-di(pentan-2-yl)nonane-2,8-diamine
PubChem CID170105864
Molecular FormulaC23H50N2
Molecular Weight354.67 g/mol
Exact Mass354.40
IUPAC Name2-N,4,5,6-tetramethyl-8-N,5-di(pentan-2-yl)nonane-2,8-diamine
SMILESCCCC(C)NC(C)CC(C)C(C)(C(C)CCC)C(C)CC(C)NC
InChIInChI=1S/C23H50N2/c1-11-13-17(3)23(9,18(4)15-21(7)24-10)19(5)16-22(8)25-20(6)14-12-2/h17-22,24-25H,11-16H2,1-10H3
InChIKeyLUYHXBADADALJJ-UHFFFAOYSA-N
XLogP6.26
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.67
LogP ≤ 56.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-N,4,5,6-tetramethyl-8-N,5-di(pentan-2-yl)nonane-2,8-diamine with MolForge

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

Launch Full Analysis

Related Compounds

N-methylpentan-2-amine;hydrochloride
CID 42919600
ethane;(2S)-N-methylpentan-2-amine
CID 143603159
N,4,5,5,6-pentamethyloctan-2-amine
CID 152877979
cyclohexane;N,4-dimethylheptan-2-amine
CID 144521968
N,4-dimethyldecan-2-amine
CID 64721855
1-N'-pentan-2-ylethane-1,1-diamine
CID 147485734
N-(1-methoxypropan-2-yl)pentan-2-amine
CID 43191929
4-N-tert-butyl-2-N-methylpentane-2,4-diamine
CID 168728756
1,2-bis[(2S)-pentan-2-yl]hydrazine
CID 92556919
(S)-2-methyl-N-[(2S)-pentan-2-yl]propane-2-sulfinamide
CID 135057244
N-(4-methylpentan-2-yl)heptan-4-amine
CID 43371859
N,4-dimethyl-6-propylsulfonylhexan-2-amine
CID 106732347

Frequently Asked Questions

What is the IUPAC name of 2-N,4,5,6-tetramethyl-8-N,5-di(pentan-2-yl)nonane-2,8-diamine?
The IUPAC name of 2-N,4,5,6-tetramethyl-8-N,5-di(pentan-2-yl)nonane-2,8-diamine (CID 170105864) is 2-N,4,5,6-tetramethyl-8-N,5-di(pentan-2-yl)nonane-2,8-diamine.
What is the SMILES notation for 2-N,4,5,6-tetramethyl-8-N,5-di(pentan-2-yl)nonane-2,8-diamine?
The canonical SMILES for 2-N,4,5,6-tetramethyl-8-N,5-di(pentan-2-yl)nonane-2,8-diamine is CCCC(C)NC(C)CC(C)C(C)(C(C)CCC)C(C)CC(C)NC.
What is the InChIKey of 2-N,4,5,6-tetramethyl-8-N,5-di(pentan-2-yl)nonane-2,8-diamine?
The InChIKey is LUYHXBADADALJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H50N2/c1-11-13-17(3)23(9,18(4)15-21(7)24-10)19(5)16-22(8)25-20(6)14-12-2/h17-22,24-25H,11-16H2,1-10H3.
What are the key properties of 2-N,4,5,6-tetramethyl-8-N,5-di(pentan-2-yl)nonane-2,8-diamine?
2-N,4,5,6-tetramethyl-8-N,5-di(pentan-2-yl)nonane-2,8-diamine has a molecular weight of 354.67 g/mol, XLogP of 6.26, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4,5,6-tetramethyl-8-N,5-di(pentan-2-yl)nonane-2,8-diamine is sourced from PubChem (CID 170105864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).