CID 146166386

C7H14N — CID 146166386

IUPAC—
SMILES[H]/N=C(\C)CC[C](C)C
InChIInChI=1S/C7H14N/c1-6(2)4-5-7(3)8/h8H,4-5H2,1-3H3/b8-7+
InChIKeySIMTWMXQHKSJAB-BQYQJAHWSA-N
MW112.20 g/mol
LogP2.42
Rot. Bonds3

About CID 146166386

CID 146166386 (PubChem CID 146166386) has the molecular formula C7H14N and a molecular weight of 112.20 g/mol.

Molecular Properties

Compound NameCID 146166386
PubChem CID146166386
Molecular FormulaC7H14N
Molecular Weight112.20 g/mol
Exact Mass112.11
IUPAC Name—
SMILES[H]/N=C(\C)CC[C](C)C
InChIInChI=1S/C7H14N/c1-6(2)4-5-7(3)8/h8H,4-5H2,1-3H3/b8-7+
InChIKeySIMTWMXQHKSJAB-BQYQJAHWSA-N
XLogP2.42
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.20
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 146166386?
The IUPAC name of CID 146166386 (CID 146166386) is not available.
What is the SMILES notation for CID 146166386?
The canonical SMILES for CID 146166386 is [H]/N=C(\C)CC[C](C)C.
What is the InChIKey of CID 146166386?
The InChIKey is SIMTWMXQHKSJAB-BQYQJAHWSA-N. The full InChI is InChI=1S/C7H14N/c1-6(2)4-5-7(3)8/h8H,4-5H2,1-3H3/b8-7+.
What are the key properties of CID 146166386?
CID 146166386 has a molecular weight of 112.20 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 146166386 is sourced from PubChem (CID 146166386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).