1-(oxolan-2-yl)pentan-3-amine

C9H19NO — CID 62549637

IUPAC1-(oxolan-2-yl)pentan-3-amine
SMILESCCC(N)CCC1CCCO1
InChIInChI=1S/C9H19NO/c1-2-8(10)5-6-9-4-3-7-11-9/h8-9H,2-7,10H2,1H3
InChIKeyMZBULIFGAJTDCY-UHFFFAOYSA-N
MW157.26 g/mol
LogP1.68
Rot. Bonds4

About 1-(oxolan-2-yl)pentan-3-amine

1-(oxolan-2-yl)pentan-3-amine (PubChem CID 62549637) has the molecular formula C9H19NO and a molecular weight of 157.26 g/mol. Its IUPAC name is 1-(oxolan-2-yl)pentan-3-amine.

Molecular Properties

Compound Name1-(oxolan-2-yl)pentan-3-amine
PubChem CID62549637
Molecular FormulaC9H19NO
Molecular Weight157.26 g/mol
Exact Mass157.15
IUPAC Name1-(oxolan-2-yl)pentan-3-amine
SMILESCCC(N)CCC1CCCO1
InChIInChI=1S/C9H19NO/c1-2-8(10)5-6-9-4-3-7-11-9/h8-9H,2-7,10H2,1H3
InChIKeyMZBULIFGAJTDCY-UHFFFAOYSA-N
XLogP1.68
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1,5-bis(oxolan-2-yl)pentan-3-amine
CID 104993652
1-methylsulfanyl-4-(oxolan-2-yl)butan-2-amine
CID 65164455
(2R)-4-[(2R)-oxolan-2-yl]butan-2-amine
CID 7380763
6-ethoxy-1-(oxolan-2-yl)hexan-3-amine
CID 105156946
2-ethyl-4-(oxolan-2-yl)butan-1-amine
CID 65165961
1-(oxan-2-yl)nonan-3-amine
CID 115833397
6-methyl-1-(oxan-2-yl)heptan-3-amine
CID 115834272
5-methyl-1-(oxan-2-yl)hexan-3-amine
CID 115782296
1,1,1-trifluoro-5-(oxolan-2-yl)pentan-3-amine
CID 65164286
1-methylsulfonyl-5-(oxolan-2-yl)pentan-3-amine
CID 115848376
4-methyl-1-(oxolan-2-yl)heptan-3-amine
CID 104993629
1-[3-(oxolan-2-yl)propylsulfanyl]butan-2-amine
CID 66227798

Frequently Asked Questions

What is the IUPAC name of 1-(oxolan-2-yl)pentan-3-amine?
The IUPAC name of 1-(oxolan-2-yl)pentan-3-amine (CID 62549637) is 1-(oxolan-2-yl)pentan-3-amine.
What is the SMILES notation for 1-(oxolan-2-yl)pentan-3-amine?
The canonical SMILES for 1-(oxolan-2-yl)pentan-3-amine is CCC(N)CCC1CCCO1.
What is the InChIKey of 1-(oxolan-2-yl)pentan-3-amine?
The InChIKey is MZBULIFGAJTDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO/c1-2-8(10)5-6-9-4-3-7-11-9/h8-9H,2-7,10H2,1H3.
What are the key properties of 1-(oxolan-2-yl)pentan-3-amine?
1-(oxolan-2-yl)pentan-3-amine has a molecular weight of 157.26 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxolan-2-yl)pentan-3-amine is sourced from PubChem (CID 62549637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).