1-(3-methylcyclopentyl)-N-(oxolan-2-ylmethyl)methanamine

C12H23NO — CID 107411733

IUPAC1-(3-methylcyclopentyl)-N-(oxolan-2-ylmethyl)methanamine
SMILESCC1CCC(CNCC2CCCO2)C1
InChIInChI=1S/C12H23NO/c1-10-4-5-11(7-10)8-13-9-12-3-2-6-14-12/h10-13H,2-9H2,1H3
InChIKeyLLMQQGXPSZAPPV-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.19
Rot. Bonds4

About 1-(3-methylcyclopentyl)-N-(oxolan-2-ylmethyl)methanamine

1-(3-methylcyclopentyl)-N-(oxolan-2-ylmethyl)methanamine (PubChem CID 107411733) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 1-(3-methylcyclopentyl)-N-(oxolan-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-(3-methylcyclopentyl)-N-(oxolan-2-ylmethyl)methanamine
PubChem CID107411733
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name1-(3-methylcyclopentyl)-N-(oxolan-2-ylmethyl)methanamine
SMILESCC1CCC(CNCC2CCCO2)C1
InChIInChI=1S/C12H23NO/c1-10-4-5-11(7-10)8-13-9-12-3-2-6-14-12/h10-13H,2-9H2,1H3
InChIKeyLLMQQGXPSZAPPV-UHFFFAOYSA-N
XLogP2.19
TPSA21.26 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 ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-N-(oxolan-2-ylmethyl)methanamine
CID 3607647
3-[(oxolan-2-ylmethylamino)methyl]cyclohexan-1-amine
CID 63046122
N-[(3-methylcyclopentyl)methyl]-1-(oxan-4-yl)methanamine
CID 107412308
N-(oxiran-2-ylmethyl)-1-(oxolan-2-yl)methanamine
CID 126662658
3-cyclopropyl-N-(oxolan-2-ylmethyl)propan-1-amine
CID 102551342
1-[(3R)-oxan-3-yl]-N-[[(2S)-oxolan-2-yl]methyl]methanamine
CID 93449844
N-[(5-methyloxolan-2-yl)methyl]-1-(oxolan-2-yl)methanamine
CID 81330041
2,4-dimethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
CID 63995122
1-(2-methylcyclohexyl)-N-[[(2R)-oxolan-2-yl]methyl]methanamine
CID 126611621
N-butyl-N'-(oxolan-2-ylmethyl)ethane-1,2-diamine
CID 54806845
N-methyl-N-(4-methylcyclohexyl)-2-(oxolan-2-ylmethylamino)acetamide;hydrochloride
CID 119689914
N-[2-(4-methylcyclohexyl)ethyl]-3-(oxolan-2-yl)propan-1-amine
CID 65164076

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylcyclopentyl)-N-(oxolan-2-ylmethyl)methanamine?
The IUPAC name of 1-(3-methylcyclopentyl)-N-(oxolan-2-ylmethyl)methanamine (CID 107411733) is 1-(3-methylcyclopentyl)-N-(oxolan-2-ylmethyl)methanamine.
What is the SMILES notation for 1-(3-methylcyclopentyl)-N-(oxolan-2-ylmethyl)methanamine?
The canonical SMILES for 1-(3-methylcyclopentyl)-N-(oxolan-2-ylmethyl)methanamine is CC1CCC(CNCC2CCCO2)C1.
What is the InChIKey of 1-(3-methylcyclopentyl)-N-(oxolan-2-ylmethyl)methanamine?
The InChIKey is LLMQQGXPSZAPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-10-4-5-11(7-10)8-13-9-12-3-2-6-14-12/h10-13H,2-9H2,1H3.
What are the key properties of 1-(3-methylcyclopentyl)-N-(oxolan-2-ylmethyl)methanamine?
1-(3-methylcyclopentyl)-N-(oxolan-2-ylmethyl)methanamine has a molecular weight of 197.32 g/mol, XLogP of 2.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylcyclopentyl)-N-(oxolan-2-ylmethyl)methanamine is sourced from PubChem (CID 107411733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).