2-N-[2-(dimethylamino)ethyl]-2-N,2-dimethylnonane-1,2-diamine

C15H35N3 — CID 55227526

IUPAC2-N-[2-(dimethylamino)ethyl]-2-N,2-dimethylnonane-1,2-diamine
SMILESCCCCCCCC(C)(CN)N(C)CCN(C)C
InChIInChI=1S/C15H35N3/c1-6-7-8-9-10-11-15(2,14-16)18(5)13-12-17(3)4/h6-14,16H2,1-5H3
InChIKeyHFBWVAJHKNKMED-UHFFFAOYSA-N
MW257.47 g/mol
LogP2.56
Rot. Bonds11

About 2-N-[2-(dimethylamino)ethyl]-2-N,2-dimethylnonane-1,2-diamine

2-N-[2-(dimethylamino)ethyl]-2-N,2-dimethylnonane-1,2-diamine (PubChem CID 55227526) has the molecular formula C15H35N3 and a molecular weight of 257.47 g/mol. Its IUPAC name is 2-N-[2-(dimethylamino)ethyl]-2-N,2-dimethylnonane-1,2-diamine.

Molecular Properties

Compound Name2-N-[2-(dimethylamino)ethyl]-2-N,2-dimethylnonane-1,2-diamine
PubChem CID55227526
Molecular FormulaC15H35N3
Molecular Weight257.47 g/mol
Exact Mass257.28
IUPAC Name2-N-[2-(dimethylamino)ethyl]-2-N,2-dimethylnonane-1,2-diamine
SMILESCCCCCCCC(C)(CN)N(C)CCN(C)C
InChIInChI=1S/C15H35N3/c1-6-7-8-9-10-11-15(2,14-16)18(5)13-12-17(3)4/h6-14,16H2,1-5H3
InChIKeyHFBWVAJHKNKMED-UHFFFAOYSA-N
XLogP2.56
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.47
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-N-[2-(dimethylamino)ethyl]-2-N,2-dimethylnonane-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

Related Compounds

2-N,2-dimethyl-2-N-pentylnonane-1,2-diamine
CID 43294671
2-N-butyl-2-N,2-dimethylnonane-1,2-diamine
CID 43089517
2-N,2-dimethyl-2-N-(3-methylsulfanylpropyl)octane-1,2-diamine
CID 114236764
2-N,2-dimethyl-2-N-(2-methylpropyl)nonane-1,2-diamine
CID 43271963
2-N,2-dimethyl-2-N-(2-propan-2-yloxyethyl)heptane-1,2-diamine
CID 81059026
2-N,2-dimethyl-2-N-pentylbutane-1,2-diamine
CID 43294696
2-N,2-dimethyl-2-N-(2-thiophen-2-ylethyl)nonane-1,2-diamine
CID 79476491
2-N,2-dimethyl-2-N-pentan-2-yloctane-1,2-diamine
CID 43571908
2-N-cyclopropyl-2-N,2-dimethylnonane-1,2-diamine
CID 43264803
N-but-3-enyl-N,7-dimethyltetradecan-7-amine
CID 167034642
2-methyl-2-N,2-N-bis(3-methylbutyl)octane-1,2-diamine
CID 107869523
3-hexyl-N,N,3-trimethylnonan-1-amine
CID 167121945

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(dimethylamino)ethyl]-2-N,2-dimethylnonane-1,2-diamine?
The IUPAC name of 2-N-[2-(dimethylamino)ethyl]-2-N,2-dimethylnonane-1,2-diamine (CID 55227526) is 2-N-[2-(dimethylamino)ethyl]-2-N,2-dimethylnonane-1,2-diamine.
What is the SMILES notation for 2-N-[2-(dimethylamino)ethyl]-2-N,2-dimethylnonane-1,2-diamine?
The canonical SMILES for 2-N-[2-(dimethylamino)ethyl]-2-N,2-dimethylnonane-1,2-diamine is CCCCCCCC(C)(CN)N(C)CCN(C)C.
What is the InChIKey of 2-N-[2-(dimethylamino)ethyl]-2-N,2-dimethylnonane-1,2-diamine?
The InChIKey is HFBWVAJHKNKMED-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H35N3/c1-6-7-8-9-10-11-15(2,14-16)18(5)13-12-17(3)4/h6-14,16H2,1-5H3.
What are the key properties of 2-N-[2-(dimethylamino)ethyl]-2-N,2-dimethylnonane-1,2-diamine?
2-N-[2-(dimethylamino)ethyl]-2-N,2-dimethylnonane-1,2-diamine has a molecular weight of 257.47 g/mol, XLogP of 2.56, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(dimethylamino)ethyl]-2-N,2-dimethylnonane-1,2-diamine is sourced from PubChem (CID 55227526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).