4-[cyclopentyl(ethyl)amino]-2-(cyclopropylamino)butan-1-ol

C14H28N2O — CID 64795522

IUPAC4-[cyclopentyl(ethyl)amino]-2-(cyclopropylamino)butan-1-ol
SMILESCCN(CCC(CO)NC1CC1)C1CCCC1
InChIInChI=1S/C14H28N2O/c1-2-16(14-5-3-4-6-14)10-9-13(11-17)15-12-7-8-12/h12-15,17H,2-11H2,1H3
InChIKeyHYHUZWZTHZQBSX-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.75
Rot. Bonds8

About 4-[cyclopentyl(ethyl)amino]-2-(cyclopropylamino)butan-1-ol

4-[cyclopentyl(ethyl)amino]-2-(cyclopropylamino)butan-1-ol (PubChem CID 64795522) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 4-[cyclopentyl(ethyl)amino]-2-(cyclopropylamino)butan-1-ol.

Molecular Properties

Compound Name4-[cyclopentyl(ethyl)amino]-2-(cyclopropylamino)butan-1-ol
PubChem CID64795522
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name4-[cyclopentyl(ethyl)amino]-2-(cyclopropylamino)butan-1-ol
SMILESCCN(CCC(CO)NC1CC1)C1CCCC1
InChIInChI=1S/C14H28N2O/c1-2-16(14-5-3-4-6-14)10-9-13(11-17)15-12-7-8-12/h12-15,17H,2-11H2,1H3
InChIKeyHYHUZWZTHZQBSX-UHFFFAOYSA-N
XLogP1.75
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[cyclopentyl(ethyl)amino]-2-(cyclopropylamino)butan-1-ol?
The IUPAC name of 4-[cyclopentyl(ethyl)amino]-2-(cyclopropylamino)butan-1-ol (CID 64795522) is 4-[cyclopentyl(ethyl)amino]-2-(cyclopropylamino)butan-1-ol.
What is the SMILES notation for 4-[cyclopentyl(ethyl)amino]-2-(cyclopropylamino)butan-1-ol?
The canonical SMILES for 4-[cyclopentyl(ethyl)amino]-2-(cyclopropylamino)butan-1-ol is CCN(CCC(CO)NC1CC1)C1CCCC1.
What is the InChIKey of 4-[cyclopentyl(ethyl)amino]-2-(cyclopropylamino)butan-1-ol?
The InChIKey is HYHUZWZTHZQBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-2-16(14-5-3-4-6-14)10-9-13(11-17)15-12-7-8-12/h12-15,17H,2-11H2,1H3.
What are the key properties of 4-[cyclopentyl(ethyl)amino]-2-(cyclopropylamino)butan-1-ol?
4-[cyclopentyl(ethyl)amino]-2-(cyclopropylamino)butan-1-ol has a molecular weight of 240.39 g/mol, XLogP of 1.75, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[cyclopentyl(ethyl)amino]-2-(cyclopropylamino)butan-1-ol is sourced from PubChem (CID 64795522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).