(1S)-1-cyclohexyl-N-[(5,5-dimethyloxolan-2-yl)methyl]ethanamine

C15H29NO — CID 104889526

IUPAC(1S)-1-cyclohexyl-N-[(5,5-dimethyloxolan-2-yl)methyl]ethanamine
SMILESC[C@H](NCC1CCC(C)(C)O1)C1CCCCC1
InChIInChI=1S/C15H29NO/c1-12(13-7-5-4-6-8-13)16-11-14-9-10-15(2,3)17-14/h12-14,16H,4-11H2,1-3H3/t12-,14?/m0/s1
InChIKeyZZHVYPUAZXMMRW-NBFOIZRFSA-N
MW239.40 g/mol
LogP3.50
Rot. Bonds4

About (1S)-1-cyclohexyl-N-[(5,5-dimethyloxolan-2-yl)methyl]ethanamine

(1S)-1-cyclohexyl-N-[(5,5-dimethyloxolan-2-yl)methyl]ethanamine (PubChem CID 104889526) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is (1S)-1-cyclohexyl-N-[(5,5-dimethyloxolan-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-cyclohexyl-N-[(5,5-dimethyloxolan-2-yl)methyl]ethanamine
PubChem CID104889526
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name(1S)-1-cyclohexyl-N-[(5,5-dimethyloxolan-2-yl)methyl]ethanamine
SMILESC[C@H](NCC1CCC(C)(C)O1)C1CCCCC1
InChIInChI=1S/C15H29NO/c1-12(13-7-5-4-6-8-13)16-11-14-9-10-15(2,3)17-14/h12-14,16H,4-11H2,1-3H3/t12-,14?/m0/s1
InChIKeyZZHVYPUAZXMMRW-NBFOIZRFSA-N
XLogP3.50
TPSA21.26 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 ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-cyclopentyl-N-[(5,5-dimethyloxolan-2-yl)methyl]ethanamine
CID 104889528
(1S)-1-cyclohexyl-N-(1-oxaspiro[4.4]nonan-2-ylmethyl)ethanamine
CID 102897605
2-[(5,5-dimethyloxolan-2-yl)methylamino]propane-1,3-diol
CID 116521519
N-[(5,5-dimethyloxolan-2-yl)methyl]-1-methoxy-3-methylbutan-2-amine
CID 116521510
(1R)-1-cyclohexyl-N-[[(2R)-oxolan-2-yl]methyl]ethanamine
CID 93283261
(1S)-N-(cyclobutylmethyl)-1-cycloheptylethanamine
CID 81390333
(1R)-N-(cyclobutylmethyl)-1-cycloheptylethanamine
CID 81391954
(1R)-N-(cyclobutylmethyl)-1-cyclohexylethanamine
CID 81385089
N-[(5,5-dimethyloxolan-2-yl)methyl]-1-methoxypropan-2-amine
CID 116521074
N-[(5,5-dimethyloxolan-2-yl)methyl]-1-methylsulfanylbutan-2-amine
CID 116521719
2-[(5,5-dimethyloxolan-2-yl)methylamino]-N-ethylpropanamide
CID 116521319
2-N-[(5,5-dimethyloxolan-2-yl)methyl]-1-N,1-N,4-trimethylpentane-1,2-diamine
CID 116521337

Frequently Asked Questions

What is the IUPAC name of (1S)-1-cyclohexyl-N-[(5,5-dimethyloxolan-2-yl)methyl]ethanamine?
The IUPAC name of (1S)-1-cyclohexyl-N-[(5,5-dimethyloxolan-2-yl)methyl]ethanamine (CID 104889526) is (1S)-1-cyclohexyl-N-[(5,5-dimethyloxolan-2-yl)methyl]ethanamine.
What is the SMILES notation for (1S)-1-cyclohexyl-N-[(5,5-dimethyloxolan-2-yl)methyl]ethanamine?
The canonical SMILES for (1S)-1-cyclohexyl-N-[(5,5-dimethyloxolan-2-yl)methyl]ethanamine is C[C@H](NCC1CCC(C)(C)O1)C1CCCCC1.
What is the InChIKey of (1S)-1-cyclohexyl-N-[(5,5-dimethyloxolan-2-yl)methyl]ethanamine?
The InChIKey is ZZHVYPUAZXMMRW-NBFOIZRFSA-N. The full InChI is InChI=1S/C15H29NO/c1-12(13-7-5-4-6-8-13)16-11-14-9-10-15(2,3)17-14/h12-14,16H,4-11H2,1-3H3/t12-,14?/m0/s1.
What are the key properties of (1S)-1-cyclohexyl-N-[(5,5-dimethyloxolan-2-yl)methyl]ethanamine?
(1S)-1-cyclohexyl-N-[(5,5-dimethyloxolan-2-yl)methyl]ethanamine has a molecular weight of 239.40 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-cyclohexyl-N-[(5,5-dimethyloxolan-2-yl)methyl]ethanamine is sourced from PubChem (CID 104889526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).