2-N,2-dimethyl-2-N-[(1-methylimidazol-2-yl)methyl]nonane-1,2-diamine

C16H32N4 — CID 63013198

IUPAC2-N,2-dimethyl-2-N-[(1-methylimidazol-2-yl)methyl]nonane-1,2-diamine
SMILESCCCCCCCC(C)(CN)N(C)Cc1nccn1C
InChIInChI=1S/C16H32N4/c1-5-6-7-8-9-10-16(2,14-17)20(4)13-15-18-11-12-19(15)3/h11-12H,5-10,13-14,17H2,1-4H3
InChIKeyNXZYEHBFMLXUFR-UHFFFAOYSA-N
MW280.46 g/mol
LogP2.93
Rot. Bonds10

About 2-N,2-dimethyl-2-N-[(1-methylimidazol-2-yl)methyl]nonane-1,2-diamine

2-N,2-dimethyl-2-N-[(1-methylimidazol-2-yl)methyl]nonane-1,2-diamine (PubChem CID 63013198) has the molecular formula C16H32N4 and a molecular weight of 280.46 g/mol. Its IUPAC name is 2-N,2-dimethyl-2-N-[(1-methylimidazol-2-yl)methyl]nonane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-dimethyl-2-N-[(1-methylimidazol-2-yl)methyl]nonane-1,2-diamine
PubChem CID63013198
Molecular FormulaC16H32N4
Molecular Weight280.46 g/mol
Exact Mass280.26
IUPAC Name2-N,2-dimethyl-2-N-[(1-methylimidazol-2-yl)methyl]nonane-1,2-diamine
SMILESCCCCCCCC(C)(CN)N(C)Cc1nccn1C
InChIInChI=1S/C16H32N4/c1-5-6-7-8-9-10-16(2,14-17)20(4)13-15-18-11-12-19(15)3/h11-12H,5-10,13-14,17H2,1-4H3
InChIKeyNXZYEHBFMLXUFR-UHFFFAOYSA-N
XLogP2.93
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-dimethyl-2-N-[(1-methylimidazol-2-yl)methyl]nonane-1,2-diamine?
The IUPAC name of 2-N,2-dimethyl-2-N-[(1-methylimidazol-2-yl)methyl]nonane-1,2-diamine (CID 63013198) is 2-N,2-dimethyl-2-N-[(1-methylimidazol-2-yl)methyl]nonane-1,2-diamine.
What is the SMILES notation for 2-N,2-dimethyl-2-N-[(1-methylimidazol-2-yl)methyl]nonane-1,2-diamine?
The canonical SMILES for 2-N,2-dimethyl-2-N-[(1-methylimidazol-2-yl)methyl]nonane-1,2-diamine is CCCCCCCC(C)(CN)N(C)Cc1nccn1C.
What is the InChIKey of 2-N,2-dimethyl-2-N-[(1-methylimidazol-2-yl)methyl]nonane-1,2-diamine?
The InChIKey is NXZYEHBFMLXUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N4/c1-5-6-7-8-9-10-16(2,14-17)20(4)13-15-18-11-12-19(15)3/h11-12H,5-10,13-14,17H2,1-4H3.
What are the key properties of 2-N,2-dimethyl-2-N-[(1-methylimidazol-2-yl)methyl]nonane-1,2-diamine?
2-N,2-dimethyl-2-N-[(1-methylimidazol-2-yl)methyl]nonane-1,2-diamine has a molecular weight of 280.46 g/mol, XLogP of 2.93, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-dimethyl-2-N-[(1-methylimidazol-2-yl)methyl]nonane-1,2-diamine is sourced from PubChem (CID 63013198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).