2-cyclopentyl-4-(oxolan-2-yl)butan-1-amine

C13H25NO — CID 112569622

IUPAC2-cyclopentyl-4-(oxolan-2-yl)butan-1-amine
SMILESNCC(CCC1CCCO1)C1CCCC1
InChIInChI=1S/C13H25NO/c14-10-12(11-4-1-2-5-11)7-8-13-6-3-9-15-13/h11-13H,1-10,14H2
InChIKeyPVJACIWILVHYJR-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.71
Rot. Bonds5

About 2-cyclopentyl-4-(oxolan-2-yl)butan-1-amine

2-cyclopentyl-4-(oxolan-2-yl)butan-1-amine (PubChem CID 112569622) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 2-cyclopentyl-4-(oxolan-2-yl)butan-1-amine.

Molecular Properties

Compound Name2-cyclopentyl-4-(oxolan-2-yl)butan-1-amine
PubChem CID112569622
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name2-cyclopentyl-4-(oxolan-2-yl)butan-1-amine
SMILESNCC(CCC1CCCO1)C1CCCC1
InChIInChI=1S/C13H25NO/c14-10-12(11-4-1-2-5-11)7-8-13-6-3-9-15-13/h11-13H,1-10,14H2
InChIKeyPVJACIWILVHYJR-UHFFFAOYSA-N
XLogP2.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclobutyl-3-(oxan-2-yl)propan-1-amine
CID 105049432
1,5-bis(oxolan-2-yl)pentan-3-amine
CID 104993652
[1-cycloheptyl-3-(oxolan-2-yl)propyl]hydrazine
CID 105231964
2-ethyl-4-(oxolan-2-yl)butan-1-amine
CID 65165961
(2R)-4-[(2R)-oxolan-2-yl]butan-2-amine
CID 7380763
1-cyclohexyl-3-(oxan-2-yl)propan-1-ol
CID 115802147
1-cyclohexyl-1-methoxy-4-(oxolan-2-yl)butan-2-amine
CID 116771262
1,1-difluoro-4-(oxolan-2-yl)butan-2-amine
CID 103516728
1-(oxolan-2-yl)pentan-3-amine
CID 62549637
1,1,1-trifluoro-5-(oxolan-2-yl)pentan-3-amine
CID 65164286
1,3-bis(oxan-2-yl)propan-1-amine
CID 173130870
[1-cyclohexyl-1-methoxy-4-(oxolan-2-yl)butan-2-yl]hydrazine
CID 105278623

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-4-(oxolan-2-yl)butan-1-amine?
The IUPAC name of 2-cyclopentyl-4-(oxolan-2-yl)butan-1-amine (CID 112569622) is 2-cyclopentyl-4-(oxolan-2-yl)butan-1-amine.
What is the SMILES notation for 2-cyclopentyl-4-(oxolan-2-yl)butan-1-amine?
The canonical SMILES for 2-cyclopentyl-4-(oxolan-2-yl)butan-1-amine is NCC(CCC1CCCO1)C1CCCC1.
What is the InChIKey of 2-cyclopentyl-4-(oxolan-2-yl)butan-1-amine?
The InChIKey is PVJACIWILVHYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c14-10-12(11-4-1-2-5-11)7-8-13-6-3-9-15-13/h11-13H,1-10,14H2.
What are the key properties of 2-cyclopentyl-4-(oxolan-2-yl)butan-1-amine?
2-cyclopentyl-4-(oxolan-2-yl)butan-1-amine has a molecular weight of 211.35 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-4-(oxolan-2-yl)butan-1-amine is sourced from PubChem (CID 112569622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).