2,4-dimethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine

C13H25NO — CID 63995122

IUPAC2,4-dimethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
SMILESCC1CCC(NCC2CCCO2)C(C)C1
InChIInChI=1S/C13H25NO/c1-10-5-6-13(11(2)8-10)14-9-12-4-3-7-15-12/h10-14H,3-9H2,1-2H3
InChIKeyABKKTJFZDOXFMV-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.58
Rot. Bonds3

About 2,4-dimethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine

2,4-dimethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine (PubChem CID 63995122) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 2,4-dimethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name2,4-dimethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
PubChem CID63995122
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name2,4-dimethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
SMILESCC1CCC(NCC2CCCO2)C(C)C1
InChIInChI=1S/C13H25NO/c1-10-5-6-13(11(2)8-10)14-9-12-4-3-7-15-12/h10-14H,3-9H2,1-2H3
InChIKeyABKKTJFZDOXFMV-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

2,5-dimethyl-N-(oxan-2-ylmethyl)cyclohexan-1-amine
CID 64761101
2,3-dimethyl-N-(oxolan-2-ylmethyl)cyclopentan-1-amine
CID 64908944
N-(1,3-dioxolan-2-ylmethyl)-2,4-dimethylcyclohexan-1-amine
CID 131175670
2-methyl-N-(oxan-2-ylmethyl)cyclopentan-1-amine
CID 63278391
(2R,3R)-2-methyl-N-[[(2S)-oxolan-2-yl]methyl]oxolan-3-amine
CID 97358136
(2S,6S)-2,6-dimethyl-N-[[(2S)-oxolan-2-yl]methyl]oxan-4-amine
CID 97358325
3-ethyl-2-methyl-N-(oxolan-2-ylmethyl)cyclopentan-1-amine
CID 64921005
1,2,5-trimethyl-N-(oxolan-2-ylmethyl)piperidin-4-amine
CID 43665432
1-(3-methylcyclopentyl)-N-(oxolan-2-ylmethyl)methanamine
CID 107411733
2-methoxy-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
CID 43765488
N-ethyl-4-methyl-2-(oxolan-2-ylmethyl)cyclohexan-1-amine
CID 62549830
3,5-dimethyl-N-(oxan-2-ylmethyl)cyclohexan-1-amine
CID 64751038

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine?
The IUPAC name of 2,4-dimethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine (CID 63995122) is 2,4-dimethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine.
What is the SMILES notation for 2,4-dimethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine?
The canonical SMILES for 2,4-dimethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine is CC1CCC(NCC2CCCO2)C(C)C1.
What is the InChIKey of 2,4-dimethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine?
The InChIKey is ABKKTJFZDOXFMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-10-5-6-13(11(2)8-10)14-9-12-4-3-7-15-12/h10-14H,3-9H2,1-2H3.
What are the key properties of 2,4-dimethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine?
2,4-dimethyl-N-(oxolan-2-ylmethyl)cyclohexan-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 2,4-dimethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine is sourced from PubChem (CID 63995122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).