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

C17H39N3 — CID 63466838

IUPAC2-N-[2-(dimethylamino)ethyl]-2-N-(2-methylpropyl)nonane-1,2-diamine
SMILESCCCCCCCC(CN)N(CCN(C)C)CC(C)C
InChIInChI=1S/C17H39N3/c1-6-7-8-9-10-11-17(14-18)20(15-16(2)3)13-12-19(4)5/h16-17H,6-15,18H2,1-5H3
InChIKeyYBHCVLJFVPXBPK-UHFFFAOYSA-N
MW285.52 g/mol
LogP3.19
Rot. Bonds13

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

2-N-[2-(dimethylamino)ethyl]-2-N-(2-methylpropyl)nonane-1,2-diamine (PubChem CID 63466838) has the molecular formula C17H39N3 and a molecular weight of 285.52 g/mol. Its IUPAC name is 2-N-[2-(dimethylamino)ethyl]-2-N-(2-methylpropyl)nonane-1,2-diamine.

Molecular Properties

Compound Name2-N-[2-(dimethylamino)ethyl]-2-N-(2-methylpropyl)nonane-1,2-diamine
PubChem CID63466838
Molecular FormulaC17H39N3
Molecular Weight285.52 g/mol
Exact Mass285.31
IUPAC Name2-N-[2-(dimethylamino)ethyl]-2-N-(2-methylpropyl)nonane-1,2-diamine
SMILESCCCCCCCC(CN)N(CCN(C)C)CC(C)C
InChIInChI=1S/C17H39N3/c1-6-7-8-9-10-11-17(14-18)20(15-16(2)3)13-12-19(4)5/h16-17H,6-15,18H2,1-5H3
InChIKeyYBHCVLJFVPXBPK-UHFFFAOYSA-N
XLogP3.19
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.52
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-N-[2-(dimethylamino)ethyl]-2-N-(2-methylpropyl)octane-1,2-diamine
CID 55011655
2-N,2-N-bis(2-methylpropyl)heptane-1,2-diamine
CID 55193032
2-N-ethyl-2-N-(2-methylpropyl)octane-1,2-diamine
CID 43273520
2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)octane-1,2-diamine
CID 54987130
2-N,2-N-bis(3-methylbutyl)nonane-1,2-diamine
CID 107869547
2-N,2-N-bis(3-methylbutyl)heptane-1,2-diamine
CID 107869478
2-N-methyl-2-N-(3-methylbutyl)nonane-1,2-diamine
CID 55193416
2-N,2-N-diethyloctadecane-1,2-diamine
CID 142627498
N,N-bis(2-methylpropyl)octan-3-amine
CID 130409635
N,N-dimethyldodecan-1-amine;14-methylpentadecan-1-amine
CID 88621765
2-N-[2-(dimethylamino)ethyl]-2-N-(2-methylpropyl)-1-N-pentylpropane-1,2-diamine
CID 62568667
2-N-ethyl-2-N-(2-ethylbutyl)octane-1,2-diamine
CID 63472156

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(dimethylamino)ethyl]-2-N-(2-methylpropyl)nonane-1,2-diamine?
The IUPAC name of 2-N-[2-(dimethylamino)ethyl]-2-N-(2-methylpropyl)nonane-1,2-diamine (CID 63466838) is 2-N-[2-(dimethylamino)ethyl]-2-N-(2-methylpropyl)nonane-1,2-diamine.
What is the SMILES notation for 2-N-[2-(dimethylamino)ethyl]-2-N-(2-methylpropyl)nonane-1,2-diamine?
The canonical SMILES for 2-N-[2-(dimethylamino)ethyl]-2-N-(2-methylpropyl)nonane-1,2-diamine is CCCCCCCC(CN)N(CCN(C)C)CC(C)C.
What is the InChIKey of 2-N-[2-(dimethylamino)ethyl]-2-N-(2-methylpropyl)nonane-1,2-diamine?
The InChIKey is YBHCVLJFVPXBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H39N3/c1-6-7-8-9-10-11-17(14-18)20(15-16(2)3)13-12-19(4)5/h16-17H,6-15,18H2,1-5H3.
What are the key properties of 2-N-[2-(dimethylamino)ethyl]-2-N-(2-methylpropyl)nonane-1,2-diamine?
2-N-[2-(dimethylamino)ethyl]-2-N-(2-methylpropyl)nonane-1,2-diamine has a molecular weight of 285.52 g/mol, XLogP of 3.19, 13 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-methylpropyl)nonane-1,2-diamine is sourced from PubChem (CID 63466838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).