N,4,7-trimethyl-2-propylnonan-1-imine

C15H31N — CID 163631549

IUPACN,4,7-trimethyl-2-propylnonan-1-imine
SMILESCCCC(/C=N/C)CC(C)CCC(C)CC
InChIInChI=1S/C15H31N/c1-6-8-15(12-16-5)11-14(4)10-9-13(3)7-2/h12-15H,6-11H2,1-5H3/b16-12+
InChIKeyHWNDBGVLUNWFNP-FOWTUZBSSA-N
MW225.42 g/mol
LogP4.96
Rot. Bonds9

About N,4,7-trimethyl-2-propylnonan-1-imine

N,4,7-trimethyl-2-propylnonan-1-imine (PubChem CID 163631549) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is N,4,7-trimethyl-2-propylnonan-1-imine.

Molecular Properties

Compound NameN,4,7-trimethyl-2-propylnonan-1-imine
PubChem CID163631549
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC NameN,4,7-trimethyl-2-propylnonan-1-imine
SMILESCCCC(/C=N/C)CC(C)CCC(C)CC
InChIInChI=1S/C15H31N/c1-6-8-15(12-16-5)11-14(4)10-9-13(3)7-2/h12-15H,6-11H2,1-5H3/b16-12+
InChIKeyHWNDBGVLUNWFNP-FOWTUZBSSA-N
XLogP4.96
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.42
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3R,6R)-3,6-dimethylnonane
CID 170848352
3,6-dimethyl-8-propan-2-yl-9-propyldodecane
CID 142338262
2-(3-chloropropyl)-N-ethyl-4-methylhexan-1-imine
CID 10036314
3,5,7,9,11,13,15-heptamethyloctadecane
CID 20645188
3,6-dimethylnonane;ethane;3-methylpentane
CID 143978343
3,5,7,9-tetramethyldodecane
CID 91047062
7-ethyl-3,6-dimethyldecane
CID 57491785
3,9,11-trimethyltetradecane
CID 158626683
N-tert-butyl-4-methyl-2-(2-methylbutyl)hexan-1-imine
CID 10060177
3,5,7,10,12-pentamethyltetradecane
CID 59582352
N,N-dimethylmethanamine;3-methylhexane
CID 156791587
6-ethyl-3-methylnonane;methane
CID 142358245

Frequently Asked Questions

What is the IUPAC name of N,4,7-trimethyl-2-propylnonan-1-imine?
The IUPAC name of N,4,7-trimethyl-2-propylnonan-1-imine (CID 163631549) is N,4,7-trimethyl-2-propylnonan-1-imine.
What is the SMILES notation for N,4,7-trimethyl-2-propylnonan-1-imine?
The canonical SMILES for N,4,7-trimethyl-2-propylnonan-1-imine is CCCC(/C=N/C)CC(C)CCC(C)CC.
What is the InChIKey of N,4,7-trimethyl-2-propylnonan-1-imine?
The InChIKey is HWNDBGVLUNWFNP-FOWTUZBSSA-N. The full InChI is InChI=1S/C15H31N/c1-6-8-15(12-16-5)11-14(4)10-9-13(3)7-2/h12-15H,6-11H2,1-5H3/b16-12+.
What are the key properties of N,4,7-trimethyl-2-propylnonan-1-imine?
N,4,7-trimethyl-2-propylnonan-1-imine has a molecular weight of 225.42 g/mol, XLogP of 4.96, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,4,7-trimethyl-2-propylnonan-1-imine is sourced from PubChem (CID 163631549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).