N-(3-iminopropyl)dodecan-1-amine

C15H32N2 — CID 57053351

IUPACN-(3-iminopropyl)dodecan-1-amine
SMILES[H]/N=C/CCNCCCCCCCCCCCC
InChIInChI=1S/C15H32N2/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16/h13,16-17H,2-12,14-15H2,1H3/b16-13+
InChIKeyICCQYJLJAKNSMU-DTQAZKPQSA-N
MW240.43 g/mol
LogP4.54
Rot. Bonds14

About N-(3-iminopropyl)dodecan-1-amine

N-(3-iminopropyl)dodecan-1-amine (PubChem CID 57053351) has the molecular formula C15H32N2 and a molecular weight of 240.43 g/mol. Its IUPAC name is N-(3-iminopropyl)dodecan-1-amine.

Molecular Properties

Compound NameN-(3-iminopropyl)dodecan-1-amine
PubChem CID57053351
Molecular FormulaC15H32N2
Molecular Weight240.43 g/mol
Exact Mass240.26
IUPAC NameN-(3-iminopropyl)dodecan-1-amine
SMILES[H]/N=C/CCNCCCCCCCCCCCC
InChIInChI=1S/C15H32N2/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16/h13,16-17H,2-12,14-15H2,1H3/b16-13+
InChIKeyICCQYJLJAKNSMU-DTQAZKPQSA-N
XLogP4.54
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.43
LogP ≤ 54.54
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-(3-iminopropyl)dodecan-1-amine?
The IUPAC name of N-(3-iminopropyl)dodecan-1-amine (CID 57053351) is N-(3-iminopropyl)dodecan-1-amine.
What is the SMILES notation for N-(3-iminopropyl)dodecan-1-amine?
The canonical SMILES for N-(3-iminopropyl)dodecan-1-amine is [H]/N=C/CCNCCCCCCCCCCCC.
What is the InChIKey of N-(3-iminopropyl)dodecan-1-amine?
The InChIKey is ICCQYJLJAKNSMU-DTQAZKPQSA-N. The full InChI is InChI=1S/C15H32N2/c1-2-3-4-5-6-7-8-9-10-11-14-17-15-12-13-16/h13,16-17H,2-12,14-15H2,1H3/b16-13+.
What are the key properties of N-(3-iminopropyl)dodecan-1-amine?
N-(3-iminopropyl)dodecan-1-amine has a molecular weight of 240.43 g/mol, XLogP of 4.54, 14 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iminopropyl)dodecan-1-amine is sourced from PubChem (CID 57053351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).