2,4-dimethyl-1-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine

C15H29NO — CID 65166842

IUPAC2,4-dimethyl-1-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine
SMILESCC1CCC(N)(CCCC2CCCO2)C(C)C1
InChIInChI=1S/C15H29NO/c1-12-7-9-15(16,13(2)11-12)8-3-5-14-6-4-10-17-14/h12-14H,3-11,16H2,1-2H3
InChIKeyOVIICCXMULFNPO-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.49
Rot. Bonds4

About 2,4-dimethyl-1-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine

2,4-dimethyl-1-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine (PubChem CID 65166842) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 2,4-dimethyl-1-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2,4-dimethyl-1-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine
PubChem CID65166842
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name2,4-dimethyl-1-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine
SMILESCC1CCC(N)(CCCC2CCCO2)C(C)C1
InChIInChI=1S/C15H29NO/c1-12-7-9-15(16,13(2)11-12)8-3-5-14-6-4-10-17-14/h12-14H,3-11,16H2,1-2H3
InChIKeyOVIICCXMULFNPO-UHFFFAOYSA-N
XLogP3.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-1-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine
CID 79836963
3,3-dimethyl-1-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine
CID 65167462
1-(aminomethyl)-2,4-dimethylcyclohexan-1-amine
CID 64761739
4-butyl-1-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine
CID 65170355
1-[3-(oxolan-2-yl)propyl]-4-propan-2-ylcycloheptan-1-amine
CID 65167150
2-methyl-1-[2-(oxolan-2-yl)ethyl]cyclobutan-1-ol
CID 130554995
3-methyl-1-[3-(oxolan-2-yl)propyl]cyclohexane-1-carboxylic acid
CID 65395527
4-[3-(oxolan-2-yl)propyl]oxan-4-ol
CID 65162115
[1-[3-(oxolan-2-yl)propyl]-4-propan-2-ylcyclohexyl]methanamine
CID 65424498
4,4-dimethyl-1-[3-(oxolan-2-yl)propyl]cycloheptan-1-ol
CID 65167036
4-methyl-1-[2-(oxolan-2-yl)ethyl]cycloheptan-1-ol
CID 65166935
2-ethyl-1-[2-(oxolan-2-yl)ethyl]cyclohexan-1-amine
CID 65167407

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine?
The IUPAC name of 2,4-dimethyl-1-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine (CID 65166842) is 2,4-dimethyl-1-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine.
What is the SMILES notation for 2,4-dimethyl-1-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine?
The canonical SMILES for 2,4-dimethyl-1-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine is CC1CCC(N)(CCCC2CCCO2)C(C)C1.
What is the InChIKey of 2,4-dimethyl-1-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine?
The InChIKey is OVIICCXMULFNPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-12-7-9-15(16,13(2)11-12)8-3-5-14-6-4-10-17-14/h12-14H,3-11,16H2,1-2H3.
What are the key properties of 2,4-dimethyl-1-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine?
2,4-dimethyl-1-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine has a molecular weight of 239.40 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine is sourced from PubChem (CID 65166842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).