N-propan-2-yltetradecan-1-imine

C17H35N — CID 166594813

IUPACN-propan-2-yltetradecan-1-imine
SMILESCCCCCCCCCCCCC/C=N/C(C)C
InChIInChI=1S/C17H35N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-18-17(2)3/h16-17H,4-15H2,1-3H3/b18-16+
InChIKeyULLGVPBWPVVYJB-FBMGVBCBSA-N
MW253.47 g/mol
LogP6.17
Rot. Bonds13

About N-propan-2-yltetradecan-1-imine

N-propan-2-yltetradecan-1-imine (PubChem CID 166594813) has the molecular formula C17H35N and a molecular weight of 253.47 g/mol. Its IUPAC name is N-propan-2-yltetradecan-1-imine.

Molecular Properties

Compound NameN-propan-2-yltetradecan-1-imine
PubChem CID166594813
Molecular FormulaC17H35N
Molecular Weight253.47 g/mol
Exact Mass253.28
IUPAC NameN-propan-2-yltetradecan-1-imine
SMILESCCCCCCCCCCCCC/C=N/C(C)C
InChIInChI=1S/C17H35N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-18-17(2)3/h16-17H,4-15H2,1-3H3/b18-16+
InChIKeyULLGVPBWPVVYJB-FBMGVBCBSA-N
XLogP6.17
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds13
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500253.47
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-octyloctan-1-imine
CID 11402193
N-t-butyloctaneimine
CID 11194715
N-t-butylnonaneimine
CID 13479200
2-Pentyl-2,3,4,5-tetrahydropyridine
CID 57141538
N-propan-2-ylhexan-1-imine
CID 85914109
N-propan-2-ylheptan-1-imine
CID 12650140
N-butan-2-ylhexan-1-imine
CID 101240400
n-Tetradecyl hexadecyl imine
CID 166594922
N,N'-di(propan-2-yl)heptane-1,7-diimine
CID 12728201
N-methyldodecan-1-imine
CID 14496641
(1E)-N-Methyloctan-1-imine
CID 14978514
N-octadecyloctadecan-1-imine
CID 19883782

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yltetradecan-1-imine?
The IUPAC name of N-propan-2-yltetradecan-1-imine (CID 166594813) is N-propan-2-yltetradecan-1-imine.
What is the SMILES notation for N-propan-2-yltetradecan-1-imine?
The canonical SMILES for N-propan-2-yltetradecan-1-imine is CCCCCCCCCCCCC/C=N/C(C)C.
What is the InChIKey of N-propan-2-yltetradecan-1-imine?
The InChIKey is ULLGVPBWPVVYJB-FBMGVBCBSA-N. The full InChI is InChI=1S/C17H35N/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-18-17(2)3/h16-17H,4-15H2,1-3H3/b18-16+.
What are the key properties of N-propan-2-yltetradecan-1-imine?
N-propan-2-yltetradecan-1-imine has a molecular weight of 253.47 g/mol, XLogP of 6.17, 13 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yltetradecan-1-imine is sourced from PubChem (CID 166594813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).