3-(4-aminocyclohex-2-en-1-yl)propan-1-ol

C9H17NO — CID 89195778

IUPAC3-(4-aminocyclohex-2-en-1-yl)propan-1-ol
SMILESNC1C=CC(CCCO)CC1
InChIInChI=1S/C9H17NO/c10-9-5-3-8(4-6-9)2-1-7-11/h3,5,8-9,11H,1-2,4,6-7,10H2
InChIKeyLONWVWSJFKUUSV-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.05
Rot. Bonds3

About 3-(4-aminocyclohex-2-en-1-yl)propan-1-ol

3-(4-aminocyclohex-2-en-1-yl)propan-1-ol (PubChem CID 89195778) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 3-(4-aminocyclohex-2-en-1-yl)propan-1-ol.

Molecular Properties

Compound Name3-(4-aminocyclohex-2-en-1-yl)propan-1-ol
PubChem CID89195778
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name3-(4-aminocyclohex-2-en-1-yl)propan-1-ol
SMILESNC1C=CC(CCCO)CC1
InChIInChI=1S/C9H17NO/c10-9-5-3-8(4-6-9)2-1-7-11/h3,5,8-9,11H,1-2,4,6-7,10H2
InChIKeyLONWVWSJFKUUSV-UHFFFAOYSA-N
XLogP1.05
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(4-aminocyclohex-2-en-1-yl)propan-1-ol?
The IUPAC name of 3-(4-aminocyclohex-2-en-1-yl)propan-1-ol (CID 89195778) is 3-(4-aminocyclohex-2-en-1-yl)propan-1-ol.
What is the SMILES notation for 3-(4-aminocyclohex-2-en-1-yl)propan-1-ol?
The canonical SMILES for 3-(4-aminocyclohex-2-en-1-yl)propan-1-ol is NC1C=CC(CCCO)CC1.
What is the InChIKey of 3-(4-aminocyclohex-2-en-1-yl)propan-1-ol?
The InChIKey is LONWVWSJFKUUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c10-9-5-3-8(4-6-9)2-1-7-11/h3,5,8-9,11H,1-2,4,6-7,10H2.
What are the key properties of 3-(4-aminocyclohex-2-en-1-yl)propan-1-ol?
3-(4-aminocyclohex-2-en-1-yl)propan-1-ol has a molecular weight of 155.24 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminocyclohex-2-en-1-yl)propan-1-ol is sourced from PubChem (CID 89195778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).