3,3,5,5-tetramethyl-N-[1-(oxolan-2-yl)ethyl]cyclohexan-1-amine

C16H31NO — CID 112681915

IUPAC3,3,5,5-tetramethyl-N-[1-(oxolan-2-yl)ethyl]cyclohexan-1-amine
SMILESCC(NC1CC(C)(C)CC(C)(C)C1)C1CCCO1
InChIInChI=1S/C16H31NO/c1-12(14-7-6-8-18-14)17-13-9-15(2,3)11-16(4,5)10-13/h12-14,17H,6-11H2,1-5H3
InChIKeyNAHNHPVUFHPZMB-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.75
Rot. Bonds3

About 3,3,5,5-tetramethyl-N-[1-(oxolan-2-yl)ethyl]cyclohexan-1-amine

3,3,5,5-tetramethyl-N-[1-(oxolan-2-yl)ethyl]cyclohexan-1-amine (PubChem CID 112681915) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 3,3,5,5-tetramethyl-N-[1-(oxolan-2-yl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name3,3,5,5-tetramethyl-N-[1-(oxolan-2-yl)ethyl]cyclohexan-1-amine
PubChem CID112681915
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name3,3,5,5-tetramethyl-N-[1-(oxolan-2-yl)ethyl]cyclohexan-1-amine
SMILESCC(NC1CC(C)(C)CC(C)(C)C1)C1CCCO1
InChIInChI=1S/C16H31NO/c1-12(14-7-6-8-18-14)17-13-9-15(2,3)11-16(4,5)10-13/h12-14,17H,6-11H2,1-5H3
InChIKeyNAHNHPVUFHPZMB-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2-dimethyl-N-[1-(oxolan-2-yl)ethyl]-1,3-dioxan-5-amine
CID 104585187
N-[1-(oxolan-2-yl)ethyl]bicyclo[3.1.0]hexan-3-amine
CID 130791757
N-[(1S)-1-cyclohexylethyl]-3,3,5,5-tetramethylcyclohexan-1-amine
CID 103961036
4-N-[1-(oxolan-2-yl)ethyl]cyclohexane-1,4-diamine
CID 79725148
4-[1-(oxolan-2-yl)ethylamino]oxolan-3-ol
CID 60910566
N-[1-(oxolan-2-yl)ethyl]-3-phenylcyclobutan-1-amine
CID 43632276
1-ethyl-N-[1-(oxolan-2-yl)ethyl]azepan-4-amine
CID 65074185
3,3,5,5-tetramethyl-N-[1-(1-methylpiperidin-3-yl)ethyl]cyclohexan-1-amine
CID 115923462
N-[1-(oxolan-2-yl)ethyl]cyclohex-2-en-1-amine
CID 104531391
N-[1-(oxolan-2-yl)ethyl]but-3-en-2-amine
CID 104531303
(1S)-2,2-dichloro-1-methyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]cyclopropane-1-carboxamide
CID 7346762
(1R)-N-methyl-1-[(2S)-oxan-2-yl]ethanamine
CID 144712346

Frequently Asked Questions

What is the IUPAC name of 3,3,5,5-tetramethyl-N-[1-(oxolan-2-yl)ethyl]cyclohexan-1-amine?
The IUPAC name of 3,3,5,5-tetramethyl-N-[1-(oxolan-2-yl)ethyl]cyclohexan-1-amine (CID 112681915) is 3,3,5,5-tetramethyl-N-[1-(oxolan-2-yl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 3,3,5,5-tetramethyl-N-[1-(oxolan-2-yl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 3,3,5,5-tetramethyl-N-[1-(oxolan-2-yl)ethyl]cyclohexan-1-amine is CC(NC1CC(C)(C)CC(C)(C)C1)C1CCCO1.
What is the InChIKey of 3,3,5,5-tetramethyl-N-[1-(oxolan-2-yl)ethyl]cyclohexan-1-amine?
The InChIKey is NAHNHPVUFHPZMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-12(14-7-6-8-18-14)17-13-9-15(2,3)11-16(4,5)10-13/h12-14,17H,6-11H2,1-5H3.
What are the key properties of 3,3,5,5-tetramethyl-N-[1-(oxolan-2-yl)ethyl]cyclohexan-1-amine?
3,3,5,5-tetramethyl-N-[1-(oxolan-2-yl)ethyl]cyclohexan-1-amine has a molecular weight of 253.43 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,5,5-tetramethyl-N-[1-(oxolan-2-yl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 112681915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).