3-methyl-3-(oxan-4-ylmethyl)cyclopentan-1-amine

C12H23NO — CID 116538676

IUPAC3-methyl-3-(oxan-4-ylmethyl)cyclopentan-1-amine
SMILESCC1(CC2CCOCC2)CCC(N)C1
InChIInChI=1S/C12H23NO/c1-12(5-2-11(13)9-12)8-10-3-6-14-7-4-10/h10-11H,2-9,13H2,1H3
InChIKeyJEDMEQHSLGUSIU-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.32
Rot. Bonds2

About 3-methyl-3-(oxan-4-ylmethyl)cyclopentan-1-amine

3-methyl-3-(oxan-4-ylmethyl)cyclopentan-1-amine (PubChem CID 116538676) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 3-methyl-3-(oxan-4-ylmethyl)cyclopentan-1-amine.

Molecular Properties

Compound Name3-methyl-3-(oxan-4-ylmethyl)cyclopentan-1-amine
PubChem CID116538676
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name3-methyl-3-(oxan-4-ylmethyl)cyclopentan-1-amine
SMILESCC1(CC2CCOCC2)CCC(N)C1
InChIInChI=1S/C12H23NO/c1-12(5-2-11(13)9-12)8-10-3-6-14-7-4-10/h10-11H,2-9,13H2,1H3
InChIKeyJEDMEQHSLGUSIU-UHFFFAOYSA-N
XLogP2.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-Oxaspiro[4.5]decan-10-amine
CID 83905183
8-Oxaspiro(4.5)decan-1-amine
CID 83905182
{8-Oxaspiro[4.5]decan-1-yl}methanamine
CID 83905750
3-Fluoro-3-(oxan-3-yl)cyclopentan-1-amine
CID 107138250
3-Fluoro-3-(oxan-4-ylmethyl)cyclopentan-1-amine
CID 112565585
3-Fluoro-3-(oxan-4-yl)cyclopentan-1-amine
CID 112565653
3-Fluoro-3-[4-(oxan-4-yl)butyl]cyclopentan-1-amine
CID 114192924
(2R)-1-(oxan-3-yl)pentan-2-amine
CID 58017386
(2R)-1-[(3R)-oxan-3-yl]butan-2-amine
CID 58017423
(2R)-1-[(3R)-oxan-3-yl]pentan-2-amine
CID 58017427
(3R,4S)-4-(cyclopentylmethyl)oxan-3-amine
CID 58381283
(2R)-1-(oxan-4-yl)pentan-2-amine
CID 59378410

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(oxan-4-ylmethyl)cyclopentan-1-amine?
The IUPAC name of 3-methyl-3-(oxan-4-ylmethyl)cyclopentan-1-amine (CID 116538676) is 3-methyl-3-(oxan-4-ylmethyl)cyclopentan-1-amine.
What is the SMILES notation for 3-methyl-3-(oxan-4-ylmethyl)cyclopentan-1-amine?
The canonical SMILES for 3-methyl-3-(oxan-4-ylmethyl)cyclopentan-1-amine is CC1(CC2CCOCC2)CCC(N)C1.
What is the InChIKey of 3-methyl-3-(oxan-4-ylmethyl)cyclopentan-1-amine?
The InChIKey is JEDMEQHSLGUSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-12(5-2-11(13)9-12)8-10-3-6-14-7-4-10/h10-11H,2-9,13H2,1H3.
What are the key properties of 3-methyl-3-(oxan-4-ylmethyl)cyclopentan-1-amine?
3-methyl-3-(oxan-4-ylmethyl)cyclopentan-1-amine has a molecular weight of 197.32 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(oxan-4-ylmethyl)cyclopentan-1-amine is sourced from PubChem (CID 116538676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).