1-(oxan-4-yl)pentan-3-amine

C10H21NO — CID 62386440

IUPAC1-(oxan-4-yl)pentan-3-amine
SMILESCCC(N)CCC1CCOCC1
InChIInChI=1S/C10H21NO/c1-2-10(11)4-3-9-5-7-12-8-6-9/h9-10H,2-8,11H2,1H3
InChIKeyRAXATEMZZAXPKR-UHFFFAOYSA-N
MW171.28 g/mol
LogP1.93
Rot. Bonds4

About 1-(oxan-4-yl)pentan-3-amine

1-(oxan-4-yl)pentan-3-amine (PubChem CID 62386440) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is 1-(oxan-4-yl)pentan-3-amine.

Molecular Properties

Compound Name1-(oxan-4-yl)pentan-3-amine
PubChem CID62386440
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name1-(oxan-4-yl)pentan-3-amine
SMILESCCC(N)CCC1CCOCC1
InChIInChI=1S/C10H21NO/c1-2-10(11)4-3-9-5-7-12-8-6-9/h9-10H,2-8,11H2,1H3
InChIKeyRAXATEMZZAXPKR-UHFFFAOYSA-N
XLogP1.93
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-4-(oxan-4-yl)butan-2-ol
CID 94422374
(2S)-4-(oxan-4-yl)butan-2-ol
CID 94422373
1-(1-methylpyrrolidin-3-yl)pentan-3-amine
CID 83980580
4-(3-chlorohexyl)oxane
CID 62384630
1-(oxan-4-ylmethylsulfinyl)butan-2-amine
CID 81189051
methyl (2R)-2-amino-4-(oxan-4-yl)butanoate
CID 27282389
1-(3-ethylcyclohexyl)pentan-3-amine
CID 64504617
1-(oxolan-2-yl)pentan-3-amine
CID 62549637
1-(oxan-4-yl)heptan-2-amine
CID 115846998
N-methyl-1-(oxan-4-yl)hexan-3-amine
CID 62386806
4-(4-chloro-3-methylbutyl)oxane
CID 64664613
3-methyl-1-(oxan-4-yl)pentan-2-amine
CID 63716846

Frequently Asked Questions

What is the IUPAC name of 1-(oxan-4-yl)pentan-3-amine?
The IUPAC name of 1-(oxan-4-yl)pentan-3-amine (CID 62386440) is 1-(oxan-4-yl)pentan-3-amine.
What is the SMILES notation for 1-(oxan-4-yl)pentan-3-amine?
The canonical SMILES for 1-(oxan-4-yl)pentan-3-amine is CCC(N)CCC1CCOCC1.
What is the InChIKey of 1-(oxan-4-yl)pentan-3-amine?
The InChIKey is RAXATEMZZAXPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO/c1-2-10(11)4-3-9-5-7-12-8-6-9/h9-10H,2-8,11H2,1H3.
What are the key properties of 1-(oxan-4-yl)pentan-3-amine?
1-(oxan-4-yl)pentan-3-amine has a molecular weight of 171.28 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(oxan-4-yl)pentan-3-amine is sourced from PubChem (CID 62386440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).