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

C19H40N2 — CID 57171884

IUPACN-(3-iminopropyl)hexadecan-1-amine
SMILES[H]/N=C/CCNCCCCCCCCCCCCCCCC
InChIInChI=1S/C19H40N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-19-16-17-20/h17,20-21H,2-16,18-19H2,1H3/b20-17+
InChIKeyIIRWHRSRKQMBHH-LVZFUZTISA-N
MW296.54 g/mol
LogP6.10
Rot. Bonds18

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

N-(3-iminopropyl)hexadecan-1-amine (PubChem CID 57171884) has the molecular formula C19H40N2 and a molecular weight of 296.54 g/mol. Its IUPAC name is N-(3-iminopropyl)hexadecan-1-amine.

Molecular Properties

Compound NameN-(3-iminopropyl)hexadecan-1-amine
PubChem CID57171884
Molecular FormulaC19H40N2
Molecular Weight296.54 g/mol
Exact Mass296.32
IUPAC NameN-(3-iminopropyl)hexadecan-1-amine
SMILES[H]/N=C/CCNCCCCCCCCCCCCCCCC
InChIInChI=1S/C19H40N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-19-16-17-20/h17,20-21H,2-16,18-19H2,1H3/b20-17+
InChIKeyIIRWHRSRKQMBHH-LVZFUZTISA-N
XLogP6.10
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds18
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500296.54
LogP ≤ 56.10
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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Related Compounds

N,N'-diethyldodecane-1,12-diamine
CID 14056760
N~1~-Dodecylbutane-1,4-diamine
CID 14325616
N'-decylhexane-1,6-diamine
CID 20152032
N,N'-dioctyl-butylenediamine
CID 14582384
N,N'-dioctyl-hexylenediamine
CID 12012258
n1-Tridecyl-1,4-butanediamine
CID 17962489
N'-nonyldecane-1,10-diamine
CID 87804865
Octodecylamine
CID 129679267
6,6'-Iminobishexylamine
CID 129806211
N,N'-didecylbutane-1,4-diamine
CID 310027
N1,N4-Didodecylbutane-1,4-diamine
CID 13751529
N,N-bis(8-methylaminooctyl)amine
CID 129705362

Frequently Asked Questions

What is the IUPAC name of N-(3-iminopropyl)hexadecan-1-amine?
The IUPAC name of N-(3-iminopropyl)hexadecan-1-amine (CID 57171884) is N-(3-iminopropyl)hexadecan-1-amine.
What is the SMILES notation for N-(3-iminopropyl)hexadecan-1-amine?
The canonical SMILES for N-(3-iminopropyl)hexadecan-1-amine is [H]/N=C/CCNCCCCCCCCCCCCCCCC.
What is the InChIKey of N-(3-iminopropyl)hexadecan-1-amine?
The InChIKey is IIRWHRSRKQMBHH-LVZFUZTISA-N. The full InChI is InChI=1S/C19H40N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-19-16-17-20/h17,20-21H,2-16,18-19H2,1H3/b20-17+.
What are the key properties of N-(3-iminopropyl)hexadecan-1-amine?
N-(3-iminopropyl)hexadecan-1-amine has a molecular weight of 296.54 g/mol, XLogP of 6.10, 18 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iminopropyl)hexadecan-1-amine is sourced from PubChem (CID 57171884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).