3,3,5-trimethyl-N-[1-(oxolan-3-yl)ethyl]cyclohexan-1-amine

C15H29NO — CID 115714653

IUPAC3,3,5-trimethyl-N-[1-(oxolan-3-yl)ethyl]cyclohexan-1-amine
SMILESCC1CC(NC(C)C2CCOC2)CC(C)(C)C1
InChIInChI=1S/C15H29NO/c1-11-7-14(9-15(3,4)8-11)16-12(2)13-5-6-17-10-13/h11-14,16H,5-10H2,1-4H3
InChIKeyIXUHKAGRJADYON-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.22
Rot. Bonds3

About 3,3,5-trimethyl-N-[1-(oxolan-3-yl)ethyl]cyclohexan-1-amine

3,3,5-trimethyl-N-[1-(oxolan-3-yl)ethyl]cyclohexan-1-amine (PubChem CID 115714653) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 3,3,5-trimethyl-N-[1-(oxolan-3-yl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3,3,5-trimethyl-N-[1-(oxolan-3-yl)ethyl]cyclohexan-1-amine
PubChem CID115714653
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name3,3,5-trimethyl-N-[1-(oxolan-3-yl)ethyl]cyclohexan-1-amine
SMILESCC1CC(NC(C)C2CCOC2)CC(C)(C)C1
InChIInChI=1S/C15H29NO/c1-11-7-14(9-15(3,4)8-11)16-12(2)13-5-6-17-10-13/h11-14,16H,5-10H2,1-4H3
InChIKeyIXUHKAGRJADYON-UHFFFAOYSA-N
XLogP3.22
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(oxolan-3-yl)ethyl]cyclopent-3-en-1-amine
CID 115728380
N-[1-(oxolan-3-yl)ethyl]-6-oxaspiro[4.5]decan-9-amine
CID 113263452
1-methyl-N-[(1R)-1-[(3S)-oxolan-3-yl]ethyl]piperidin-4-amine
CID 99632337
1-(oxolan-3-yl)-2-(3,3,5-trimethylcyclohexyl)oxyethanamine
CID 104748913
4-methyl-N-[1-(oxan-4-yl)ethyl]cyclohexan-1-amine
CID 103901835
(2S)-2-[[(1R,5R)-3,3,5-trimethylcyclohexyl]amino]propan-1-ol
CID 93082560
(2S)-2-[[(1S,5S)-3,3,5-trimethylcyclohexyl]amino]propan-1-ol
CID 93082557
(2R)-2-[(3,3,5-trimethylcyclohexyl)amino]propan-1-ol
CID 114985548
2-[(3,3,5-trimethylcyclohexyl)amino]propan-1-ol
CID 43499568
1-morpholin-4-yl-2-[(3,3,5-trimethylcyclohexyl)amino]propan-1-one
CID 115889688
3-ethylsulfanyl-N-[1-(oxolan-3-yl)ethyl]cyclopentan-1-amine
CID 115725124
N-[1-(oxolan-3-yl)ethyl]-3-phenylcyclobutan-1-amine
CID 115889451

Frequently Asked Questions

What is the IUPAC name of 3,3,5-trimethyl-N-[1-(oxolan-3-yl)ethyl]cyclohexan-1-amine?
The IUPAC name of 3,3,5-trimethyl-N-[1-(oxolan-3-yl)ethyl]cyclohexan-1-amine (CID 115714653) is 3,3,5-trimethyl-N-[1-(oxolan-3-yl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 3,3,5-trimethyl-N-[1-(oxolan-3-yl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 3,3,5-trimethyl-N-[1-(oxolan-3-yl)ethyl]cyclohexan-1-amine is CC1CC(NC(C)C2CCOC2)CC(C)(C)C1.
What is the InChIKey of 3,3,5-trimethyl-N-[1-(oxolan-3-yl)ethyl]cyclohexan-1-amine?
The InChIKey is IXUHKAGRJADYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-11-7-14(9-15(3,4)8-11)16-12(2)13-5-6-17-10-13/h11-14,16H,5-10H2,1-4H3.
What are the key properties of 3,3,5-trimethyl-N-[1-(oxolan-3-yl)ethyl]cyclohexan-1-amine?
3,3,5-trimethyl-N-[1-(oxolan-3-yl)ethyl]cyclohexan-1-amine has a molecular weight of 239.40 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5-trimethyl-N-[1-(oxolan-3-yl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 115714653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).