5-butyl-5-propylnonan-4-imine

C16H33N — CID 89354514

IUPAC5-butyl-5-propylnonan-4-imine
SMILES[H]/N=C(\CCC)C(CCC)(CCCC)CCCC
InChIInChI=1S/C16H33N/c1-5-9-13-16(12-8-4,14-10-6-2)15(17)11-7-3/h17H,5-14H2,1-4H3/b17-15+
InChIKeyIYUNZGYVIGZQPM-BMRADRMJSA-N
MW239.45 g/mol
LogP5.97
Rot. Bonds11

About 5-butyl-5-propylnonan-4-imine

5-butyl-5-propylnonan-4-imine (PubChem CID 89354514) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is 5-butyl-5-propylnonan-4-imine.

Molecular Properties

Compound Name5-butyl-5-propylnonan-4-imine
PubChem CID89354514
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC Name5-butyl-5-propylnonan-4-imine
SMILES[H]/N=C(\CCC)C(CCC)(CCCC)CCCC
InChIInChI=1S/C16H33N/c1-5-9-13-16(12-8-4,14-10-6-2)15(17)11-7-3/h17H,5-14H2,1-4H3/b17-15+
InChIKeyIYUNZGYVIGZQPM-BMRADRMJSA-N
XLogP5.97
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500239.45
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-butyl-N-fluoro-5-propylnonan-4-imine
CID 89380375
5,5-Diethyl-2,2-dimethylheptan-3-imine
CID 14195661
3,3-Dimethylhexan-2-imine
CID 12754201
3,3-Dimethylheptan-2-imine
CID 12754202
3-Ethyl-3-propylhexan-2-imine
CID 12754207
2,2-Dimethylheptan-3-imine
CID 15179554
2,2-Dimethylhexan-3-imine
CID 20702621
8,8,10,10-Tetrabutylheptadecan-9-imine
CID 21412162
4-Ethyl-2,2-dimethylheptan-3-imine
CID 54163298
8,10-Dihexylheptadecan-9-imine
CID 57042993
9,11-Diethylnonadecan-10-imine
CID 57188736
5,5-Dimethylhexan-3-imine
CID 57761249

Frequently Asked Questions

What is the IUPAC name of 5-butyl-5-propylnonan-4-imine?
The IUPAC name of 5-butyl-5-propylnonan-4-imine (CID 89354514) is 5-butyl-5-propylnonan-4-imine.
What is the SMILES notation for 5-butyl-5-propylnonan-4-imine?
The canonical SMILES for 5-butyl-5-propylnonan-4-imine is [H]/N=C(\CCC)C(CCC)(CCCC)CCCC.
What is the InChIKey of 5-butyl-5-propylnonan-4-imine?
The InChIKey is IYUNZGYVIGZQPM-BMRADRMJSA-N. The full InChI is InChI=1S/C16H33N/c1-5-9-13-16(12-8-4,14-10-6-2)15(17)11-7-3/h17H,5-14H2,1-4H3/b17-15+.
What are the key properties of 5-butyl-5-propylnonan-4-imine?
5-butyl-5-propylnonan-4-imine has a molecular weight of 239.45 g/mol, XLogP of 5.97, 11 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-5-propylnonan-4-imine is sourced from PubChem (CID 89354514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).