2-(cyclopropylamino)-4-(3-ethylcyclohexyl)oxybutan-1-ol

C15H29NO2 — CID 64805454

IUPAC2-(cyclopropylamino)-4-(3-ethylcyclohexyl)oxybutan-1-ol
SMILESCCC1CCCC(OCCC(CO)NC2CC2)C1
InChIInChI=1S/C15H29NO2/c1-2-12-4-3-5-15(10-12)18-9-8-14(11-17)16-13-6-7-13/h12-17H,2-11H2,1H3
InChIKeyDLQZQSIAZKGWQO-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.47
Rot. Bonds8

About 2-(cyclopropylamino)-4-(3-ethylcyclohexyl)oxybutan-1-ol

2-(cyclopropylamino)-4-(3-ethylcyclohexyl)oxybutan-1-ol (PubChem CID 64805454) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 2-(cyclopropylamino)-4-(3-ethylcyclohexyl)oxybutan-1-ol.

Molecular Properties

Compound Name2-(cyclopropylamino)-4-(3-ethylcyclohexyl)oxybutan-1-ol
PubChem CID64805454
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name2-(cyclopropylamino)-4-(3-ethylcyclohexyl)oxybutan-1-ol
SMILESCCC1CCCC(OCCC(CO)NC2CC2)C1
InChIInChI=1S/C15H29NO2/c1-2-12-4-3-5-15(10-12)18-9-8-14(11-17)16-13-6-7-13/h12-17H,2-11H2,1H3
InChIKeyDLQZQSIAZKGWQO-UHFFFAOYSA-N
XLogP2.47
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-4-(3-ethylcyclohexyl)oxybutan-1-ol?
The IUPAC name of 2-(cyclopropylamino)-4-(3-ethylcyclohexyl)oxybutan-1-ol (CID 64805454) is 2-(cyclopropylamino)-4-(3-ethylcyclohexyl)oxybutan-1-ol.
What is the SMILES notation for 2-(cyclopropylamino)-4-(3-ethylcyclohexyl)oxybutan-1-ol?
The canonical SMILES for 2-(cyclopropylamino)-4-(3-ethylcyclohexyl)oxybutan-1-ol is CCC1CCCC(OCCC(CO)NC2CC2)C1.
What is the InChIKey of 2-(cyclopropylamino)-4-(3-ethylcyclohexyl)oxybutan-1-ol?
The InChIKey is DLQZQSIAZKGWQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-2-12-4-3-5-15(10-12)18-9-8-14(11-17)16-13-6-7-13/h12-17H,2-11H2,1H3.
What are the key properties of 2-(cyclopropylamino)-4-(3-ethylcyclohexyl)oxybutan-1-ol?
2-(cyclopropylamino)-4-(3-ethylcyclohexyl)oxybutan-1-ol has a molecular weight of 255.40 g/mol, XLogP of 2.47, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-4-(3-ethylcyclohexyl)oxybutan-1-ol is sourced from PubChem (CID 64805454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).