(2,2-dimethylcyclopentyl)-(oxolan-3-yl)methanamine

C12H23NO — CID 107188775

IUPAC(2,2-dimethylcyclopentyl)-(oxolan-3-yl)methanamine
SMILESCC1(C)CCCC1C(N)C1CCOC1
InChIInChI=1S/C12H23NO/c1-12(2)6-3-4-10(12)11(13)9-5-7-14-8-9/h9-11H,3-8,13H2,1-2H3
InChIKeyPAPLQHWCMZZGOB-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.18
Rot. Bonds2

About (2,2-dimethylcyclopentyl)-(oxolan-3-yl)methanamine

(2,2-dimethylcyclopentyl)-(oxolan-3-yl)methanamine (PubChem CID 107188775) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is (2,2-dimethylcyclopentyl)-(oxolan-3-yl)methanamine.

Molecular Properties

Compound Name(2,2-dimethylcyclopentyl)-(oxolan-3-yl)methanamine
PubChem CID107188775
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name(2,2-dimethylcyclopentyl)-(oxolan-3-yl)methanamine
SMILESCC1(C)CCCC1C(N)C1CCOC1
InChIInChI=1S/C12H23NO/c1-12(2)6-3-4-10(12)11(13)9-5-7-14-8-9/h9-11H,3-8,13H2,1-2H3
InChIKeyPAPLQHWCMZZGOB-UHFFFAOYSA-N
XLogP2.18
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 ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

cyclopropyl-(2,2-dimethylcyclopentyl)methanamine
CID 107189375
cyclobutyl(oxolan-3-yl)methanamine
CID 64986324
(2,2-dimethylcyclohexyl)-(oxan-4-yl)methanol
CID 107192269
(2,2-dimethylcyclohexyl)-(3,5-dimethylcyclohexyl)methanamine
CID 107189180
1-(2,2-dimethylcyclohexyl)-N-methyl-1-(oxan-3-yl)methanamine
CID 107191936
[1-(aminomethyl)-4,4-dimethylcyclohexyl]-(oxolan-3-yl)methanol
CID 79137884
bis(oxan-3-yl)methanamine
CID 107136437
(1R)-1-[(3S)-oxolan-3-yl]ethanamine
CID 95396571
N-[(2,2-dimethylcyclopentyl)-(oxan-3-yl)methyl]propan-1-amine
CID 107191939
1,1-dimethyl-2-propan-2-ylcyclopentane
CID 23384810
1-(2,2-dimethylcyclopentyl)ethanol
CID 79863633
[1-(aminomethyl)-4,4-dimethylcyclohexyl]-(oxan-3-yl)methanol
CID 79138934

Frequently Asked Questions

What is the IUPAC name of (2,2-dimethylcyclopentyl)-(oxolan-3-yl)methanamine?
The IUPAC name of (2,2-dimethylcyclopentyl)-(oxolan-3-yl)methanamine (CID 107188775) is (2,2-dimethylcyclopentyl)-(oxolan-3-yl)methanamine.
What is the SMILES notation for (2,2-dimethylcyclopentyl)-(oxolan-3-yl)methanamine?
The canonical SMILES for (2,2-dimethylcyclopentyl)-(oxolan-3-yl)methanamine is CC1(C)CCCC1C(N)C1CCOC1.
What is the InChIKey of (2,2-dimethylcyclopentyl)-(oxolan-3-yl)methanamine?
The InChIKey is PAPLQHWCMZZGOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-12(2)6-3-4-10(12)11(13)9-5-7-14-8-9/h9-11H,3-8,13H2,1-2H3.
What are the key properties of (2,2-dimethylcyclopentyl)-(oxolan-3-yl)methanamine?
(2,2-dimethylcyclopentyl)-(oxolan-3-yl)methanamine has a molecular weight of 197.32 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-dimethylcyclopentyl)-(oxolan-3-yl)methanamine is sourced from PubChem (CID 107188775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).