2-tert-butyl-N-[1-(oxolan-2-yl)ethyl]cyclohexan-1-amine

C16H31NO — CID 43109811

IUPAC2-tert-butyl-N-[1-(oxolan-2-yl)ethyl]cyclohexan-1-amine
SMILESCC(NC1CCCCC1C(C)(C)C)C1CCCO1
InChIInChI=1S/C16H31NO/c1-12(15-10-7-11-18-15)17-14-9-6-5-8-13(14)16(2,3)4/h12-15,17H,5-11H2,1-4H3
InChIKeyCNCXVBQYQMZLRR-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.75
Rot. Bonds3

About 2-tert-butyl-N-[1-(oxolan-2-yl)ethyl]cyclohexan-1-amine

2-tert-butyl-N-[1-(oxolan-2-yl)ethyl]cyclohexan-1-amine (PubChem CID 43109811) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 2-tert-butyl-N-[1-(oxolan-2-yl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-tert-butyl-N-[1-(oxolan-2-yl)ethyl]cyclohexan-1-amine
PubChem CID43109811
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name2-tert-butyl-N-[1-(oxolan-2-yl)ethyl]cyclohexan-1-amine
SMILESCC(NC1CCCCC1C(C)(C)C)C1CCCO1
InChIInChI=1S/C16H31NO/c1-12(15-10-7-11-18-15)17-14-9-6-5-8-13(14)16(2,3)4/h12-15,17H,5-11H2,1-4H3
InChIKeyCNCXVBQYQMZLRR-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

4-ethyl-N-{[(2R)-oxolan-2-yl]methyl}cyclohexan-1-amine
CID 40515069
N-[1-(oxolan-2-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 64758061
N-[(8-tert-butyl-1-oxaspiro[4.5]decan-2-yl)methyl]cyclohexanamine
CID 14303359
4-tert-butyl-N-[(oxolan-2-yl)methyl]cyclohexan-1-amine
CID 14652957
N-[[4-(4-tert-butylcyclohexyl)oxolan-2-yl]methyl]cyclohexanamine
CID 19864357
(2S,5R)-2-[cyclohexyl(methoxy)methyl]-5-propylpyrrolidine
CID 20648546
N,3-dimethyl-1-(oxolan-2-yl)butan-1-amine
CID 65328294
(2R)-2-[cyclohexyl(methoxy)methyl]pyrrolidine
CID 70228439
1-(2-methylcyclohexyl)-N-[[(2R)-oxolan-2-yl]methyl]methanamine
CID 126611621
1-ethyl-1-propan-2-ylcyclopropane;2-methyl-N-(oxolan-2-ylmethyl)propan-1-amine;propan-2-ylcyclohexane
CID 161914868
2,6-dimethyl-N-[(oxolan-2-yl)methyl]cyclohexan-1-amine
CID 13090580
4-methyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
CID 17604570

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[1-(oxolan-2-yl)ethyl]cyclohexan-1-amine?
The IUPAC name of 2-tert-butyl-N-[1-(oxolan-2-yl)ethyl]cyclohexan-1-amine (CID 43109811) is 2-tert-butyl-N-[1-(oxolan-2-yl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 2-tert-butyl-N-[1-(oxolan-2-yl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 2-tert-butyl-N-[1-(oxolan-2-yl)ethyl]cyclohexan-1-amine is CC(NC1CCCCC1C(C)(C)C)C1CCCO1.
What is the InChIKey of 2-tert-butyl-N-[1-(oxolan-2-yl)ethyl]cyclohexan-1-amine?
The InChIKey is CNCXVBQYQMZLRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-12(15-10-7-11-18-15)17-14-9-6-5-8-13(14)16(2,3)4/h12-15,17H,5-11H2,1-4H3.
What are the key properties of 2-tert-butyl-N-[1-(oxolan-2-yl)ethyl]cyclohexan-1-amine?
2-tert-butyl-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 2-tert-butyl-N-[1-(oxolan-2-yl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 43109811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).