[4-tert-butyl-2-[2-(oxolan-2-yl)ethyl]cyclohexyl]methanamine

C17H33NO — CID 81012372

IUPAC[4-tert-butyl-2-[2-(oxolan-2-yl)ethyl]cyclohexyl]methanamine
SMILESCC(C)(C)C1CCC(CN)C(CCC2CCCO2)C1
InChIInChI=1S/C17H33NO/c1-17(2,3)15-8-6-14(12-18)13(11-15)7-9-16-5-4-10-19-16/h13-16H,4-12,18H2,1-3H3
InChIKeyMSCGMZYFLPFADO-UHFFFAOYSA-N
MW267.46 g/mol
LogP3.98
Rot. Bonds4

About [4-tert-butyl-2-[2-(oxolan-2-yl)ethyl]cyclohexyl]methanamine

[4-tert-butyl-2-[2-(oxolan-2-yl)ethyl]cyclohexyl]methanamine (PubChem CID 81012372) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is [4-tert-butyl-2-[2-(oxolan-2-yl)ethyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-tert-butyl-2-[2-(oxolan-2-yl)ethyl]cyclohexyl]methanamine
PubChem CID81012372
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name[4-tert-butyl-2-[2-(oxolan-2-yl)ethyl]cyclohexyl]methanamine
SMILESCC(C)(C)C1CCC(CN)C(CCC2CCCO2)C1
InChIInChI=1S/C17H33NO/c1-17(2,3)15-8-6-14(12-18)13(11-15)7-9-16-5-4-10-19-16/h13-16H,4-12,18H2,1-3H3
InChIKeyMSCGMZYFLPFADO-UHFFFAOYSA-N
XLogP3.98
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(aminomethyl)-5-tert-butyl-N-ethyl-N-(oxolan-2-ylmethyl)cyclohexan-1-amine
CID 61433986
[4-tert-butyl-2-(oxan-2-ylmethoxy)cyclohexyl]methanamine
CID 43428876
2-cyclopropyl-1-(oxolan-2-yl)propan-2-amine
CID 82237698
2-[2-(3-bromo-2-methylcyclopentyl)ethyl]oxolane
CID 65165540
[4-tert-butyl-2-[2-(trifluoromethylsulfanyl)ethyl]cyclohexyl]methanamine
CID 116628134
[4-(2-methylbutan-2-yl)-2-(oxolan-2-ylmethoxy)cyclohexyl]methanamine
CID 43428833
[(2R)-oxolan-2-yl]methanamine
CID 2734124
(2,4-ditert-butylcyclohexyl)methanamine
CID 81012705
[4-tert-butyl-1-[2-(oxolan-2-yl)ethoxy]cyclohexyl]methanamine
CID 65158713
[4-tert-butyl-2-(oxan-4-yl)cyclohexyl]methanamine
CID 81011372
N-methyl-1-[2-[2-(oxolan-2-yl)ethyl]cyclopentyl]methanamine
CID 81034767
2-(aminomethyl)-2-cyclopropyl-4-(oxolan-2-yl)butan-1-ol
CID 106506616

Frequently Asked Questions

What is the IUPAC name of [4-tert-butyl-2-[2-(oxolan-2-yl)ethyl]cyclohexyl]methanamine?
The IUPAC name of [4-tert-butyl-2-[2-(oxolan-2-yl)ethyl]cyclohexyl]methanamine (CID 81012372) is [4-tert-butyl-2-[2-(oxolan-2-yl)ethyl]cyclohexyl]methanamine.
What is the SMILES notation for [4-tert-butyl-2-[2-(oxolan-2-yl)ethyl]cyclohexyl]methanamine?
The canonical SMILES for [4-tert-butyl-2-[2-(oxolan-2-yl)ethyl]cyclohexyl]methanamine is CC(C)(C)C1CCC(CN)C(CCC2CCCO2)C1.
What is the InChIKey of [4-tert-butyl-2-[2-(oxolan-2-yl)ethyl]cyclohexyl]methanamine?
The InChIKey is MSCGMZYFLPFADO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-17(2,3)15-8-6-14(12-18)13(11-15)7-9-16-5-4-10-19-16/h13-16H,4-12,18H2,1-3H3.
What are the key properties of [4-tert-butyl-2-[2-(oxolan-2-yl)ethyl]cyclohexyl]methanamine?
[4-tert-butyl-2-[2-(oxolan-2-yl)ethyl]cyclohexyl]methanamine has a molecular weight of 267.46 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-tert-butyl-2-[2-(oxolan-2-yl)ethyl]cyclohexyl]methanamine is sourced from PubChem (CID 81012372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).