N,5-dimethyl-4-propyloctan-2-imine

C13H27N — CID 123171277

IUPACN,5-dimethyl-4-propyloctan-2-imine
SMILESCCCC(C)C(CCC)C/C(C)=N/C
InChIInChI=1S/C13H27N/c1-6-8-11(3)13(9-7-2)10-12(4)14-5/h11,13H,6-10H2,1-5H3/b14-12+
InChIKeyDWBUFMARFHTESN-WYMLVPIESA-N
MW197.37 g/mol
LogP4.32
Rot. Bonds7

About N,5-dimethyl-4-propyloctan-2-imine

N,5-dimethyl-4-propyloctan-2-imine (PubChem CID 123171277) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is N,5-dimethyl-4-propyloctan-2-imine.

Molecular Properties

Compound NameN,5-dimethyl-4-propyloctan-2-imine
PubChem CID123171277
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC NameN,5-dimethyl-4-propyloctan-2-imine
SMILESCCCC(C)C(CCC)C/C(C)=N/C
InChIInChI=1S/C13H27N/c1-6-8-11(3)13(9-7-2)10-12(4)14-5/h11,13H,6-10H2,1-5H3/b14-12+
InChIKeyDWBUFMARFHTESN-WYMLVPIESA-N
XLogP4.32
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 54.32
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

2,5-dimethyl-4-propyloctane
CID 57491236
3-methyl-2-propylhexan-1-amine
CID 89026240
N,3-dimethylhexan-2-imine
CID 123371156
4,5-diethyloctane
CID 519254
5-methoxy-N-methyloctan-2-imine
CID 130391764
(2R)-3-methylhexan-2-ol
CID 88692749
2-pentan-2-ylpropane-1,3-diol;2-pentan-3-ylpropane-1,3-diol
CID 174400202
2,5,9-trimethyl-8-propyldodec-5-ene
CID 123394193
N,5-dimethyl-4-propan-2-ylhex-5-en-2-imine
CID 174356407
4-(aminomethyl)-6-methylnonan-5-ol
CID 79412297
3-methyl-N,2-dipropylhexan-1-amine
CID 107897121
4-methyl-3-propan-2-ylheptan-2-ol
CID 107885963

Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-4-propyloctan-2-imine?
The IUPAC name of N,5-dimethyl-4-propyloctan-2-imine (CID 123171277) is N,5-dimethyl-4-propyloctan-2-imine.
What is the SMILES notation for N,5-dimethyl-4-propyloctan-2-imine?
The canonical SMILES for N,5-dimethyl-4-propyloctan-2-imine is CCCC(C)C(CCC)C/C(C)=N/C.
What is the InChIKey of N,5-dimethyl-4-propyloctan-2-imine?
The InChIKey is DWBUFMARFHTESN-WYMLVPIESA-N. The full InChI is InChI=1S/C13H27N/c1-6-8-11(3)13(9-7-2)10-12(4)14-5/h11,13H,6-10H2,1-5H3/b14-12+.
What are the key properties of N,5-dimethyl-4-propyloctan-2-imine?
N,5-dimethyl-4-propyloctan-2-imine has a molecular weight of 197.37 g/mol, XLogP of 4.32, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-4-propyloctan-2-imine is sourced from PubChem (CID 123171277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).