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

C17H36N2 — CID 57007128

IUPACN-(3-iminopropyl)tetradecan-1-amine
SMILES[H]/N=C/CCNCCCCCCCCCCCCCC
InChIInChI=1S/C17H36N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19-17-14-15-18/h15,18-19H,2-14,16-17H2,1H3/b18-15+
InChIKeyKMHBYPSFVSNTMQ-OBGWFSINSA-N
MW268.49 g/mol
LogP5.32
Rot. Bonds16

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

N-(3-iminopropyl)tetradecan-1-amine (PubChem CID 57007128) has the molecular formula C17H36N2 and a molecular weight of 268.49 g/mol. Its IUPAC name is N-(3-iminopropyl)tetradecan-1-amine.

Molecular Properties

Compound NameN-(3-iminopropyl)tetradecan-1-amine
PubChem CID57007128
Molecular FormulaC17H36N2
Molecular Weight268.49 g/mol
Exact Mass268.29
IUPAC NameN-(3-iminopropyl)tetradecan-1-amine
SMILES[H]/N=C/CCNCCCCCCCCCCCCCC
InChIInChI=1S/C17H36N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19-17-14-15-18/h15,18-19H,2-14,16-17H2,1H3/b18-15+
InChIKeyKMHBYPSFVSNTMQ-OBGWFSINSA-N
XLogP5.32
TPSA35.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds16
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500268.49
LogP ≤ 55.32
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-hexyltridecan-1-amine
CID 87659278
octane;N-octylnonan-1-amine
CID 145152206
N-undecyltetradecan-1-amine
CID 166059375
N,N'-diheptyldecane-1,10-diamine
CID 3028161
N,N'-diheptylhexane-1,6-diamine
CID 3028571
azane;hexan-1-imine
CID 158895938
N-ethyl-4-iminobutan-1-amine
CID 155382614
N-docosyldocosan-1-amine;hydrochloride
CID 173181498
N,N'-di(nonyl)ethane-1,2-diamine
CID 151189669
N-butyltetradecan-1-amine
CID 3548872
methane;N-octyloctan-1-amine
CID 87294693
N-hexylhexan-1-amine;hydrochloride
CID 519999

Frequently Asked Questions

What is the IUPAC name of N-(3-iminopropyl)tetradecan-1-amine?
The IUPAC name of N-(3-iminopropyl)tetradecan-1-amine (CID 57007128) is N-(3-iminopropyl)tetradecan-1-amine.
What is the SMILES notation for N-(3-iminopropyl)tetradecan-1-amine?
The canonical SMILES for N-(3-iminopropyl)tetradecan-1-amine is [H]/N=C/CCNCCCCCCCCCCCCCC.
What is the InChIKey of N-(3-iminopropyl)tetradecan-1-amine?
The InChIKey is KMHBYPSFVSNTMQ-OBGWFSINSA-N. The full InChI is InChI=1S/C17H36N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-16-19-17-14-15-18/h15,18-19H,2-14,16-17H2,1H3/b18-15+.
What are the key properties of N-(3-iminopropyl)tetradecan-1-amine?
N-(3-iminopropyl)tetradecan-1-amine has a molecular weight of 268.49 g/mol, XLogP of 5.32, 16 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-iminopropyl)tetradecan-1-amine is sourced from PubChem (CID 57007128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).