2-N,2-N-bis(3-methylbutyl)nonane-1,2-diamine

C19H42N2 — CID 107869547

IUPAC2-N,2-N-bis(3-methylbutyl)nonane-1,2-diamine
SMILESCCCCCCCC(CN)N(CCC(C)C)CCC(C)C
InChIInChI=1S/C19H42N2/c1-6-7-8-9-10-11-19(16-20)21(14-12-17(2)3)15-13-18(4)5/h17-19H,6-16,20H2,1-5H3
InChIKeyVWRBFICBDRIAHD-UHFFFAOYSA-N
MW298.56 g/mol
LogP5.07
Rot. Bonds14

About 2-N,2-N-bis(3-methylbutyl)nonane-1,2-diamine

2-N,2-N-bis(3-methylbutyl)nonane-1,2-diamine (PubChem CID 107869547) has the molecular formula C19H42N2 and a molecular weight of 298.56 g/mol. Its IUPAC name is 2-N,2-N-bis(3-methylbutyl)nonane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N-bis(3-methylbutyl)nonane-1,2-diamine
PubChem CID107869547
Molecular FormulaC19H42N2
Molecular Weight298.56 g/mol
Exact Mass298.33
IUPAC Name2-N,2-N-bis(3-methylbutyl)nonane-1,2-diamine
SMILESCCCCCCCC(CN)N(CCC(C)C)CCC(C)C
InChIInChI=1S/C19H42N2/c1-6-7-8-9-10-11-19(16-20)21(14-12-17(2)3)15-13-18(4)5/h17-19H,6-16,20H2,1-5H3
InChIKeyVWRBFICBDRIAHD-UHFFFAOYSA-N
XLogP5.07
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.56
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-N,2-N-bis(3-methylbutyl)heptane-1,2-diamine
CID 107869478
2-N,2-N-bis(2-methylpropyl)heptane-1,2-diamine
CID 55193032
2-N,2-N-bis(3-methylbutyl)pentane-1,2-diamine
CID 114011109
2-N-ethyl-2-N-(2-methylpropyl)octane-1,2-diamine
CID 43273520
2-N-methyl-2-N-(3-methylbutyl)nonane-1,2-diamine
CID 55193416
2-N-[2-(dimethylamino)ethyl]-2-N-(2-methylpropyl)octane-1,2-diamine
CID 55011655
2-N-[2-(dimethylamino)ethyl]-2-N-(2-methylpropyl)nonane-1,2-diamine
CID 63466838
2-N-(2-methoxyethyl)-2-N-(2-methylpropyl)octane-1,2-diamine
CID 54987130
2-N,2-N-diethyloctadecane-1,2-diamine
CID 142627498
2-N,2-N-bis(2-ethoxyethyl)octane-1,2-diamine
CID 82965560
2-N-ethyl-2-N-(2-ethylbutyl)octane-1,2-diamine
CID 63472156
N'-(3-aminopropyl)-N'-tetratriacontan-16-ylpropane-1,3-diamine
CID 88511358

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-bis(3-methylbutyl)nonane-1,2-diamine?
The IUPAC name of 2-N,2-N-bis(3-methylbutyl)nonane-1,2-diamine (CID 107869547) is 2-N,2-N-bis(3-methylbutyl)nonane-1,2-diamine.
What is the SMILES notation for 2-N,2-N-bis(3-methylbutyl)nonane-1,2-diamine?
The canonical SMILES for 2-N,2-N-bis(3-methylbutyl)nonane-1,2-diamine is CCCCCCCC(CN)N(CCC(C)C)CCC(C)C.
What is the InChIKey of 2-N,2-N-bis(3-methylbutyl)nonane-1,2-diamine?
The InChIKey is VWRBFICBDRIAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H42N2/c1-6-7-8-9-10-11-19(16-20)21(14-12-17(2)3)15-13-18(4)5/h17-19H,6-16,20H2,1-5H3.
What are the key properties of 2-N,2-N-bis(3-methylbutyl)nonane-1,2-diamine?
2-N,2-N-bis(3-methylbutyl)nonane-1,2-diamine has a molecular weight of 298.56 g/mol, XLogP of 5.07, 14 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-bis(3-methylbutyl)nonane-1,2-diamine is sourced from PubChem (CID 107869547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).