CID 146166385

C7H14N — CID 146166385

IUPAC—
SMILESCC(=[N])CCC(C)C
InChIInChI=1S/C7H14N/c1-6(2)4-5-7(3)8/h6H,4-5H2,1-3H3
InChIKeyJHYCTNBBBRVVMT-UHFFFAOYSA-N
MW112.20 g/mol
LogP1.68
Rot. Bonds3

About CID 146166385

CID 146166385 (PubChem CID 146166385) has the molecular formula C7H14N and a molecular weight of 112.20 g/mol.

Molecular Properties

Compound NameCID 146166385
PubChem CID146166385
Molecular FormulaC7H14N
Molecular Weight112.20 g/mol
Exact Mass112.11
IUPAC Name—
SMILESCC(=[N])CCC(C)C
InChIInChI=1S/C7H14N/c1-6(2)4-5-7(3)8/h6H,4-5H2,1-3H3
InChIKeyJHYCTNBBBRVVMT-UHFFFAOYSA-N
XLogP1.68
TPSA22.30 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.20
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-Hexanone, 5-methyl-, oxime
CID 9570075
3-Hexanone, 2-methyl-, oxime
CID 57358937
5-Methylhexan-2-one oxime
CID 12212
Isoamyl Methyl Ketoxime
CID 5359479
(NE)-N-(2-methylhexan-3-ylidene)hydroxylamine
CID 12978176
4-Methylpentan-2-imine
CID 18426397
2,4-Dimethylpentan-3-imine
CID 20560155
Diazo(diisopropyl)methane
CID 58059718
5-Methyl-3-hexanone oxime
CID 73829424
(NZ)-N-(2-methylhexan-3-ylidene)hydroxylamine
CID 22506563
CID 146166386
CID 146166386
3-methyl-5-propan-2-yl-4H-pyrazole
CID 14023694

Frequently Asked Questions

What is the IUPAC name of CID 146166385?
The IUPAC name of CID 146166385 (CID 146166385) is not available.
What is the SMILES notation for CID 146166385?
The canonical SMILES for CID 146166385 is CC(=[N])CCC(C)C.
What is the InChIKey of CID 146166385?
The InChIKey is JHYCTNBBBRVVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N/c1-6(2)4-5-7(3)8/h6H,4-5H2,1-3H3.
What are the key properties of CID 146166385?
CID 146166385 has a molecular weight of 112.20 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 146166385 is sourced from PubChem (CID 146166385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).