CID 5476687

C7H12N — CID 5476687

IUPAC—
SMILES[NH]C1CC2CCC1C2
InChIInChI=1S/C7H12N/c8-7-4-5-1-2-6(7)3-5/h5-8H,1-4H2
InChIKeyWFYTXECISRSHDD-UHFFFAOYSA-N
MW110.18 g/mol
LogP1.46
Rot. Bonds

About CID 5476687

CID 5476687 (PubChem CID 5476687) has the molecular formula C7H12N and a molecular weight of 110.18 g/mol.

Molecular Properties

Compound NameCID 5476687
PubChem CID5476687
Molecular FormulaC7H12N
Molecular Weight110.18 g/mol
Exact Mass110.10
IUPAC Name—
SMILES[NH]C1CC2CCC1C2
InChIInChI=1S/C7H12N/c8-7-4-5-1-2-6(7)3-5/h5-8H,1-4H2
InChIKeyWFYTXECISRSHDD-UHFFFAOYSA-N
XLogP1.46
TPSA23.80 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.18
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of CID 5476687?
The IUPAC name of CID 5476687 (CID 5476687) is not available.
What is the SMILES notation for CID 5476687?
The canonical SMILES for CID 5476687 is [NH]C1CC2CCC1C2.
What is the InChIKey of CID 5476687?
The InChIKey is WFYTXECISRSHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N/c8-7-4-5-1-2-6(7)3-5/h5-8H,1-4H2.
What are the key properties of CID 5476687?
CID 5476687 has a molecular weight of 110.18 g/mol, XLogP of 1.46, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for CID 5476687 is sourced from PubChem (CID 5476687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).