3,3-dimethyl-N-(oxan-3-ylmethyl)cyclopentan-1-amine

C13H25NO — CID 80705483

IUPAC3,3-dimethyl-N-(oxan-3-ylmethyl)cyclopentan-1-amine
SMILESCC1(C)CCC(NCC2CCCOC2)C1
InChIInChI=1S/C13H25NO/c1-13(2)6-5-12(8-13)14-9-11-4-3-7-15-10-11/h11-12,14H,3-10H2,1-2H3
InChIKeyVBNQXNHSRIOAEI-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.58
Rot. Bonds3

About 3,3-dimethyl-N-(oxan-3-ylmethyl)cyclopentan-1-amine

3,3-dimethyl-N-(oxan-3-ylmethyl)cyclopentan-1-amine (PubChem CID 80705483) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 3,3-dimethyl-N-(oxan-3-ylmethyl)cyclopentan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-N-(oxan-3-ylmethyl)cyclopentan-1-amine
PubChem CID80705483
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name3,3-dimethyl-N-(oxan-3-ylmethyl)cyclopentan-1-amine
SMILESCC1(C)CCC(NCC2CCCOC2)C1
InChIInChI=1S/C13H25NO/c1-13(2)6-5-12(8-13)14-9-11-4-3-7-15-10-11/h11-12,14H,3-10H2,1-2H3
InChIKeyVBNQXNHSRIOAEI-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-N-(cyclopropylmethyl)-3,3-dimethylcyclohexan-1-amine
CID 95371246
3,3-dimethyl-N-[(3-methylcyclohexyl)methyl]cyclopentan-1-amine
CID 114544246
4,4-dimethyl-N-(oxan-4-ylmethyl)cycloheptan-1-amine
CID 65088248
3,3-dimethyl-N-(piperidin-3-ylmethyl)cyclopentan-1-amine
CID 114544120
2,2-dimethyl-N-(oxan-3-ylmethyl)cyclohexan-1-amine
CID 79834755
3,3-dimethyl-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]cyclohexan-1-amine
CID 79353545
N-(cyclopentylmethyl)-4,4-dimethylcycloheptan-1-amine
CID 65084515
(3S)-N-(oxolan-3-ylmethyl)oxan-3-amine
CID 130735391
1-methyl-N-(oxan-3-ylmethyl)cyclopentan-1-amine
CID 63739507
1-(1-methylcyclopropyl)-N-(oxan-3-ylmethyl)ethanamine
CID 61020377
3,4-dimethyl-N-(oxan-3-ylmethyl)cyclohexan-1-amine
CID 64747200
N-(oxan-3-ylmethyl)-4-propan-2-ylcycloheptan-1-amine
CID 65091408

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-N-(oxan-3-ylmethyl)cyclopentan-1-amine?
The IUPAC name of 3,3-dimethyl-N-(oxan-3-ylmethyl)cyclopentan-1-amine (CID 80705483) is 3,3-dimethyl-N-(oxan-3-ylmethyl)cyclopentan-1-amine.
What is the SMILES notation for 3,3-dimethyl-N-(oxan-3-ylmethyl)cyclopentan-1-amine?
The canonical SMILES for 3,3-dimethyl-N-(oxan-3-ylmethyl)cyclopentan-1-amine is CC1(C)CCC(NCC2CCCOC2)C1.
What is the InChIKey of 3,3-dimethyl-N-(oxan-3-ylmethyl)cyclopentan-1-amine?
The InChIKey is VBNQXNHSRIOAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-13(2)6-5-12(8-13)14-9-11-4-3-7-15-10-11/h11-12,14H,3-10H2,1-2H3.
What are the key properties of 3,3-dimethyl-N-(oxan-3-ylmethyl)cyclopentan-1-amine?
3,3-dimethyl-N-(oxan-3-ylmethyl)cyclopentan-1-amine has a molecular weight of 211.35 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-N-(oxan-3-ylmethyl)cyclopentan-1-amine is sourced from PubChem (CID 80705483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).