1-(4-aminobutyl)cyclopropan-1-ol

C7H15NO — CID 84648068

IUPAC1-(4-aminobutyl)cyclopropan-1-ol
SMILESNCCCCC1(O)CC1
InChIInChI=1S/C7H15NO/c8-6-2-1-3-7(9)4-5-7/h9H,1-6,8H2
InChIKeyRLPQKNCXPQTVEN-UHFFFAOYSA-N
MW129.20 g/mol
LogP0.64
Rot. Bonds4

About 1-(4-aminobutyl)cyclopropan-1-ol

1-(4-aminobutyl)cyclopropan-1-ol (PubChem CID 84648068) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is 1-(4-aminobutyl)cyclopropan-1-ol.

Molecular Properties

Compound Name1-(4-aminobutyl)cyclopropan-1-ol
PubChem CID84648068
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name1-(4-aminobutyl)cyclopropan-1-ol
SMILESNCCCCC1(O)CC1
InChIInChI=1S/C7H15NO/c8-6-2-1-3-7(9)4-5-7/h9H,1-6,8H2
InChIKeyRLPQKNCXPQTVEN-UHFFFAOYSA-N
XLogP0.64
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminobutyl)cyclopropan-1-ol?
The IUPAC name of 1-(4-aminobutyl)cyclopropan-1-ol (CID 84648068) is 1-(4-aminobutyl)cyclopropan-1-ol.
What is the SMILES notation for 1-(4-aminobutyl)cyclopropan-1-ol?
The canonical SMILES for 1-(4-aminobutyl)cyclopropan-1-ol is NCCCCC1(O)CC1.
What is the InChIKey of 1-(4-aminobutyl)cyclopropan-1-ol?
The InChIKey is RLPQKNCXPQTVEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO/c8-6-2-1-3-7(9)4-5-7/h9H,1-6,8H2.
What are the key properties of 1-(4-aminobutyl)cyclopropan-1-ol?
1-(4-aminobutyl)cyclopropan-1-ol has a molecular weight of 129.20 g/mol, XLogP of 0.64, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminobutyl)cyclopropan-1-ol is sourced from PubChem (CID 84648068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).