1-cyclobutyl-3-(oxan-2-yl)propan-1-amine

C12H23NO — CID 105049432

IUPAC1-cyclobutyl-3-(oxan-2-yl)propan-1-amine
SMILESNC(CCC1CCCCO1)C1CCC1
InChIInChI=1S/C12H23NO/c13-12(10-4-3-5-10)8-7-11-6-1-2-9-14-11/h10-12H,1-9,13H2
InChIKeyILYRPYSMQDNHMF-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.46
Rot. Bonds4

About 1-cyclobutyl-3-(oxan-2-yl)propan-1-amine

1-cyclobutyl-3-(oxan-2-yl)propan-1-amine (PubChem CID 105049432) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 1-cyclobutyl-3-(oxan-2-yl)propan-1-amine.

Molecular Properties

Compound Name1-cyclobutyl-3-(oxan-2-yl)propan-1-amine
PubChem CID105049432
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name1-cyclobutyl-3-(oxan-2-yl)propan-1-amine
SMILESNC(CCC1CCCCO1)C1CCC1
InChIInChI=1S/C12H23NO/c13-12(10-4-3-5-10)8-7-11-6-1-2-9-14-11/h10-12H,1-9,13H2
InChIKeyILYRPYSMQDNHMF-UHFFFAOYSA-N
XLogP2.46
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-ethylcyclohexyl)-3-(oxan-2-yl)propan-1-amine
CID 104990860
1,3-bis(oxan-2-yl)propan-1-amine
CID 173130870
1-cyclohexyl-3-(oxan-2-yl)propan-1-ol
CID 115802147
1,5-bis(oxolan-2-yl)pentan-3-amine
CID 104993652
2-cyclopentyl-4-(oxolan-2-yl)butan-1-amine
CID 112569622
5-methyl-1-(oxan-2-yl)hexan-3-amine
CID 115782296
6-methyl-1-(oxan-2-yl)heptan-3-amine
CID 115834272
(2R)-4-[(2R)-oxolan-2-yl]butan-2-amine
CID 7380763
[1-cycloheptyl-3-(oxolan-2-yl)propyl]hydrazine
CID 105231964
(2R)-4-[(2R)-oxan-2-yl]butan-2-ol
CID 11171126
1-cyclohexyl-1-methoxy-4-(oxolan-2-yl)butan-2-amine
CID 116771262
1-cyclopentyl-4-(oxan-2-yl)butan-2-ol
CID 115789825

Frequently Asked Questions

What is the IUPAC name of 1-cyclobutyl-3-(oxan-2-yl)propan-1-amine?
The IUPAC name of 1-cyclobutyl-3-(oxan-2-yl)propan-1-amine (CID 105049432) is 1-cyclobutyl-3-(oxan-2-yl)propan-1-amine.
What is the SMILES notation for 1-cyclobutyl-3-(oxan-2-yl)propan-1-amine?
The canonical SMILES for 1-cyclobutyl-3-(oxan-2-yl)propan-1-amine is NC(CCC1CCCCO1)C1CCC1.
What is the InChIKey of 1-cyclobutyl-3-(oxan-2-yl)propan-1-amine?
The InChIKey is ILYRPYSMQDNHMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c13-12(10-4-3-5-10)8-7-11-6-1-2-9-14-11/h10-12H,1-9,13H2.
What are the key properties of 1-cyclobutyl-3-(oxan-2-yl)propan-1-amine?
1-cyclobutyl-3-(oxan-2-yl)propan-1-amine has a molecular weight of 197.32 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclobutyl-3-(oxan-2-yl)propan-1-amine is sourced from PubChem (CID 105049432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).