4-(cyclopentylmethyl)cyclohexan-1-amine;sulfuric acid

C12H25NO4S — CID 54600404

IUPAC4-(cyclopentylmethyl)cyclohexan-1-amine;sulfuric acid
SMILESNC1CCC(CC2CCCC2)CC1.O=S(=O)(O)O
InChIInChI=1S/C12H23N.H2O4S/c13-12-7-5-11(6-8-12)9-10-3-1-2-4-10;1-5(2,3)4/h10-12H,1-9,13H2;(H2,1,2,3,4)
InChIKeyGZCCYGNWWIQFHH-UHFFFAOYSA-N
MW279.40 g/mol
LogP2.43
Rot. Bonds2

About 4-(cyclopentylmethyl)cyclohexan-1-amine;sulfuric acid

4-(cyclopentylmethyl)cyclohexan-1-amine;sulfuric acid (PubChem CID 54600404) has the molecular formula C12H25NO4S and a molecular weight of 279.40 g/mol. Its IUPAC name is 4-(cyclopentylmethyl)cyclohexan-1-amine;sulfuric acid.

Molecular Properties

Compound Name4-(cyclopentylmethyl)cyclohexan-1-amine;sulfuric acid
PubChem CID54600404
Molecular FormulaC12H25NO4S
Molecular Weight279.40 g/mol
Exact Mass279.15
IUPAC Name4-(cyclopentylmethyl)cyclohexan-1-amine;sulfuric acid
SMILESNC1CCC(CC2CCCC2)CC1.O=S(=O)(O)O
InChIInChI=1S/C12H23N.H2O4S/c13-12-7-5-11(6-8-12)9-10-3-1-2-4-10;1-5(2,3)4/h10-12H,1-9,13H2;(H2,1,2,3,4)
InChIKeyGZCCYGNWWIQFHH-UHFFFAOYSA-N
XLogP2.43
TPSA100.62 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.40
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclopentylmethyl)cyclohexan-1-amine;sulfuric acid?
The IUPAC name of 4-(cyclopentylmethyl)cyclohexan-1-amine;sulfuric acid (CID 54600404) is 4-(cyclopentylmethyl)cyclohexan-1-amine;sulfuric acid.
What is the SMILES notation for 4-(cyclopentylmethyl)cyclohexan-1-amine;sulfuric acid?
The canonical SMILES for 4-(cyclopentylmethyl)cyclohexan-1-amine;sulfuric acid is NC1CCC(CC2CCCC2)CC1.O=S(=O)(O)O.
What is the InChIKey of 4-(cyclopentylmethyl)cyclohexan-1-amine;sulfuric acid?
The InChIKey is GZCCYGNWWIQFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N.H2O4S/c13-12-7-5-11(6-8-12)9-10-3-1-2-4-10;1-5(2,3)4/h10-12H,1-9,13H2;(H2,1,2,3,4).
What are the key properties of 4-(cyclopentylmethyl)cyclohexan-1-amine;sulfuric acid?
4-(cyclopentylmethyl)cyclohexan-1-amine;sulfuric acid has a molecular weight of 279.40 g/mol, XLogP of 2.43, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclopentylmethyl)cyclohexan-1-amine;sulfuric acid is sourced from PubChem (CID 54600404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).