N-(4,6-dimethylheptan-3-yl)propan-1-imine

C12H25N — CID 91300842

IUPACN-(4,6-dimethylheptan-3-yl)propan-1-imine
SMILESCC/C=N/C(CC)C(C)CC(C)C
InChIInChI=1S/C12H25N/c1-6-8-13-12(7-2)11(5)9-10(3)4/h8,10-12H,6-7,9H2,1-5H3/b13-8+
InChIKeyXRTSTUPJKLBLEU-MDWZMJQESA-N
MW183.34 g/mol
LogP3.93
Rot. Bonds6

About N-(4,6-dimethylheptan-3-yl)propan-1-imine

N-(4,6-dimethylheptan-3-yl)propan-1-imine (PubChem CID 91300842) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is N-(4,6-dimethylheptan-3-yl)propan-1-imine.

Molecular Properties

Compound NameN-(4,6-dimethylheptan-3-yl)propan-1-imine
PubChem CID91300842
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC NameN-(4,6-dimethylheptan-3-yl)propan-1-imine
SMILESCC/C=N/C(CC)C(C)CC(C)C
InChIInChI=1S/C12H25N/c1-6-8-13-12(7-2)11(5)9-10(3)4/h8,10-12H,6-7,9H2,1-5H3/b13-8+
InChIKeyXRTSTUPJKLBLEU-MDWZMJQESA-N
XLogP3.93
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 53.93
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

N-butan-2-ylpropan-1-imine;ethane
CID 143076356
ethane;2,4,5-trimethylheptane
CID 142268679
alumane;2,4,5-trimethylheptane
CID 174508217
2-(propylideneamino)propan-1-amine
CID 147518920
5,6,8-trimethylnonane-3-thiol
CID 166732806
bis(3-ethyl-2,5-dimethylhexane);2,3,5-trimethylhexane
CID 158124922
2,3-dimethylbutane;2,3-dimethylpentane;2,4-dimethylpentane
CID 159853039
2,4,5,6,8,9,10,12-octamethyltridecane
CID 159934910
(4S)-2,4-dimethylhexane
CID 22810193
2,4-dimethylpentane
CID 157050020
2-methylbutane
CID 158117812
2-methylbutane
CID 159175971

Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethylheptan-3-yl)propan-1-imine?
The IUPAC name of N-(4,6-dimethylheptan-3-yl)propan-1-imine (CID 91300842) is N-(4,6-dimethylheptan-3-yl)propan-1-imine.
What is the SMILES notation for N-(4,6-dimethylheptan-3-yl)propan-1-imine?
The canonical SMILES for N-(4,6-dimethylheptan-3-yl)propan-1-imine is CC/C=N/C(CC)C(C)CC(C)C.
What is the InChIKey of N-(4,6-dimethylheptan-3-yl)propan-1-imine?
The InChIKey is XRTSTUPJKLBLEU-MDWZMJQESA-N. The full InChI is InChI=1S/C12H25N/c1-6-8-13-12(7-2)11(5)9-10(3)4/h8,10-12H,6-7,9H2,1-5H3/b13-8+.
What are the key properties of N-(4,6-dimethylheptan-3-yl)propan-1-imine?
N-(4,6-dimethylheptan-3-yl)propan-1-imine has a molecular weight of 183.34 g/mol, XLogP of 3.93, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethylheptan-3-yl)propan-1-imine is sourced from PubChem (CID 91300842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).