N-(1-iminopropan-2-yl)dodecan-1-amine

C15H32N2 — CID 20691677

IUPACN-(1-iminopropan-2-yl)dodecan-1-amine
SMILES[H]/N=C/C(C)NCCCCCCCCCCCC
InChIInChI=1S/C15H32N2/c1-3-4-5-6-7-8-9-10-11-12-13-17-15(2)14-16/h14-17H,3-13H2,1-2H3/b16-14+
InChIKeyHQSLLYYBBJIWJE-JQIJEIRASA-N
MW240.43 g/mol
LogP4.53
Rot. Bonds13

About N-(1-iminopropan-2-yl)dodecan-1-amine

N-(1-iminopropan-2-yl)dodecan-1-amine (PubChem CID 20691677) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is N-(1-iminopropan-2-yl)dodecan-1-amine.

Molecular Properties

Compound NameN-(1-iminopropan-2-yl)dodecan-1-amine
PubChem CID20691677
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC NameN-(1-iminopropan-2-yl)dodecan-1-amine
SMILES[H]/N=C/C(C)NCCCCCCCCCCCC
InChIInChI=1S/C15H32N2/c1-3-4-5-6-7-8-9-10-11-12-13-17-15(2)14-16/h14-17H,3-13H2,1-2H3/b16-14+
InChIKeyHQSLLYYBBJIWJE-JQIJEIRASA-N
XLogP4.53
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds13
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-iminopropan-2-yl)dodecan-1-amine?
The IUPAC name of N-(1-iminopropan-2-yl)dodecan-1-amine (CID 20691677) is N-(1-iminopropan-2-yl)dodecan-1-amine.
What is the SMILES notation for N-(1-iminopropan-2-yl)dodecan-1-amine?
The canonical SMILES for N-(1-iminopropan-2-yl)dodecan-1-amine is [H]/N=C/C(C)NCCCCCCCCCCCC.
What is the InChIKey of N-(1-iminopropan-2-yl)dodecan-1-amine?
The InChIKey is HQSLLYYBBJIWJE-JQIJEIRASA-N. The full InChI is InChI=1S/C15H32N2/c1-3-4-5-6-7-8-9-10-11-12-13-17-15(2)14-16/h14-17H,3-13H2,1-2H3/b16-14+.
What are the key properties of N-(1-iminopropan-2-yl)dodecan-1-amine?
N-(1-iminopropan-2-yl)dodecan-1-amine has a molecular weight of 240.43 g/mol, XLogP of 4.53, 13 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-iminopropan-2-yl)dodecan-1-amine is sourced from PubChem (CID 20691677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).