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

C15H29NO — CID 65167462

IUPAC3,3-dimethyl-1-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine
SMILESCC1(C)CCCC(N)(CCCC2CCCO2)C1
InChIInChI=1S/C15H29NO/c1-14(2)8-5-10-15(16,12-14)9-3-6-13-7-4-11-17-13/h13H,3-12,16H2,1-2H3
InChIKeyDGYNWJIKNYVVRY-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.63
Rot. Bonds4

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

3,3-dimethyl-1-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine (PubChem CID 65167462) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 3,3-dimethyl-1-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3,3-dimethyl-1-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine
PubChem CID65167462
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name3,3-dimethyl-1-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine
SMILESCC1(C)CCCC(N)(CCCC2CCCO2)C1
InChIInChI=1S/C15H29NO/c1-14(2)8-5-10-15(16,12-14)9-3-6-13-7-4-11-17-13/h13H,3-12,16H2,1-2H3
InChIKeyDGYNWJIKNYVVRY-UHFFFAOYSA-N
XLogP3.63
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 ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(oxolan-2-yl)propyl]-4-propan-2-ylcycloheptan-1-amine
CID 65167150
2,2-dimethyl-1-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine
CID 79836963
4,4-dimethyl-1-[3-(oxolan-2-yl)propyl]cycloheptan-1-ol
CID 65167036
4-butyl-1-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine
CID 65170355
2,4-dimethyl-1-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine
CID 65166842
4,4-dimethyl-3-[3-(oxolan-2-yl)propyl]thian-3-ol
CID 79955990
4-[3-(oxolan-2-yl)propyl]oxan-4-ol
CID 65162115
[1-[3-(oxolan-2-yl)propyl]-4-propan-2-ylcyclohexyl]methanamine
CID 65424498
1-[2-[methyl(oxolan-2-ylmethyl)amino]ethyl]cyclobutan-1-amine
CID 79844694
2-[3-[1-(bromomethyl)cyclohexyl]propyl]oxolane
CID 66048020
3-[3-(oxolan-2-yl)propyl]oxolan-3-ol
CID 65162171
2-[3-(oxiran-2-yl)propyl]oxolane
CID 115410470

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine?
The IUPAC name of 3,3-dimethyl-1-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine (CID 65167462) is 3,3-dimethyl-1-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine.
What is the SMILES notation for 3,3-dimethyl-1-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine?
The canonical SMILES for 3,3-dimethyl-1-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine is CC1(C)CCCC(N)(CCCC2CCCO2)C1.
What is the InChIKey of 3,3-dimethyl-1-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine?
The InChIKey is DGYNWJIKNYVVRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-14(2)8-5-10-15(16,12-14)9-3-6-13-7-4-11-17-13/h13H,3-12,16H2,1-2H3.
What are the key properties of 3,3-dimethyl-1-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine?
3,3-dimethyl-1-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine has a molecular weight of 239.40 g/mol, XLogP of 3.63, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-[3-(oxolan-2-yl)propyl]cyclohexan-1-amine is sourced from PubChem (CID 65167462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).