[4-(cyclopentylmethyl)oxan-4-yl]methanamine

C12H23NO — CID 62905905

IUPAC[4-(cyclopentylmethyl)oxan-4-yl]methanamine
SMILESNCC1(CC2CCCC2)CCOCC1
InChIInChI=1S/C12H23NO/c13-10-12(5-7-14-8-6-12)9-11-3-1-2-4-11/h11H,1-10,13H2
InChIKeyWQGMQDUKNLXJGU-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.32
Rot. Bonds3

About [4-(cyclopentylmethyl)oxan-4-yl]methanamine

[4-(cyclopentylmethyl)oxan-4-yl]methanamine (PubChem CID 62905905) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is [4-(cyclopentylmethyl)oxan-4-yl]methanamine.

Molecular Properties

Compound Name[4-(cyclopentylmethyl)oxan-4-yl]methanamine
PubChem CID62905905
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name[4-(cyclopentylmethyl)oxan-4-yl]methanamine
SMILESNCC1(CC2CCCC2)CCOCC1
InChIInChI=1S/C12H23NO/c13-10-12(5-7-14-8-6-12)9-11-3-1-2-4-11/h11H,1-10,13H2
InChIKeyWQGMQDUKNLXJGU-UHFFFAOYSA-N
XLogP2.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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

[4-(cyclohexylmethyl)oxan-4-yl]methanamine
CID 62906945
[1-(cyclopentylmethyl)cyclopropyl]methanamine
CID 66024631
[3-(cyclopentylmethyl)oxetan-3-yl]methanamine
CID 116930584
[3-(cyclohexylmethyl)oxetan-3-yl]methanamine
CID 116930585
[4,4-dimethyl-1-(oxan-4-ylmethyl)cyclohexyl]methanamine
CID 65391768
[3-(cyclohexylmethyl)oxolan-3-yl]methanol
CID 66060066
[3-(cyclobutylmethyl)oxolan-3-yl]methanol
CID 130135661
[1-(1,4-dioxaspiro[4.5]decan-7-ylmethyl)cyclopropyl]methanamine
CID 130067900
N-[[4-(aminomethyl)oxan-4-yl]methyl]propan-2-amine
CID 115440025
N-[[4-(aminomethyl)oxan-4-yl]methyl]-1-cyclopropyl-N-methylmethanamine
CID 62391316
4-[4-(aminomethyl)oxan-4-yl]oxan-4-ol
CID 79136047
4-(cyclopropylmethyl)oxan-4-amine
CID 91654794

Frequently Asked Questions

What is the IUPAC name of [4-(cyclopentylmethyl)oxan-4-yl]methanamine?
The IUPAC name of [4-(cyclopentylmethyl)oxan-4-yl]methanamine (CID 62905905) is [4-(cyclopentylmethyl)oxan-4-yl]methanamine.
What is the SMILES notation for [4-(cyclopentylmethyl)oxan-4-yl]methanamine?
The canonical SMILES for [4-(cyclopentylmethyl)oxan-4-yl]methanamine is NCC1(CC2CCCC2)CCOCC1.
What is the InChIKey of [4-(cyclopentylmethyl)oxan-4-yl]methanamine?
The InChIKey is WQGMQDUKNLXJGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c13-10-12(5-7-14-8-6-12)9-11-3-1-2-4-11/h11H,1-10,13H2.
What are the key properties of [4-(cyclopentylmethyl)oxan-4-yl]methanamine?
[4-(cyclopentylmethyl)oxan-4-yl]methanamine has a molecular weight of 197.32 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(cyclopentylmethyl)oxan-4-yl]methanamine is sourced from PubChem (CID 62905905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).