1-(4-tert-butylcyclohexyl)-N,2,2-trimethylpropan-1-amine

C16H33N — CID 65400554

IUPAC1-(4-tert-butylcyclohexyl)-N,2,2-trimethylpropan-1-amine
SMILESCNC(C1CCC(C(C)(C)C)CC1)C(C)(C)C
InChIInChI=1S/C16H33N/c1-15(2,3)13-10-8-12(9-11-13)14(17-7)16(4,5)6/h12-14,17H,8-11H2,1-7H3
InChIKeyTWRYTUHCUKOTDS-UHFFFAOYSA-N
MW239.45 g/mol
LogP4.47
Rot. Bonds2

About 1-(4-tert-butylcyclohexyl)-N,2,2-trimethylpropan-1-amine

1-(4-tert-butylcyclohexyl)-N,2,2-trimethylpropan-1-amine (PubChem CID 65400554) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is 1-(4-tert-butylcyclohexyl)-N,2,2-trimethylpropan-1-amine.

Molecular Properties

Compound Name1-(4-tert-butylcyclohexyl)-N,2,2-trimethylpropan-1-amine
PubChem CID65400554
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC Name1-(4-tert-butylcyclohexyl)-N,2,2-trimethylpropan-1-amine
SMILESCNC(C1CCC(C(C)(C)C)CC1)C(C)(C)C
InChIInChI=1S/C16H33N/c1-15(2,3)13-10-8-12(9-11-13)14(17-7)16(4,5)6/h12-14,17H,8-11H2,1-7H3
InChIKeyTWRYTUHCUKOTDS-UHFFFAOYSA-N
XLogP4.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.45
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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1-(4-tert-butylcyclohexyl)-N,3-dimethylbut-2-en-1-amine
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1-(4-tert-butylcyclohexyl)-N-methylpentan-1-amine
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1-(4-tert-butylcyclohexyl)-N,2-dimethylpentan-1-amine
CID 107893901
1-(4-tert-butylcyclohexyl)ethanol;ethane
CID 144559902
1-(4-tert-butylcyclohexyl)-N-methylpent-4-en-1-amine
CID 65400751
3-(4-tert-butylcyclohexyl)-3-(methylamino)propanamide
CID 104576070
1-(4-tert-butylcyclohexyl)-2-(1-ethylimidazol-2-yl)-N-methylethanamine
CID 79751362
2-amino-1-(4-tert-butylcyclohexyl)-3-methylbutan-1-ol
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Frequently Asked Questions

What is the IUPAC name of 1-(4-tert-butylcyclohexyl)-N,2,2-trimethylpropan-1-amine?
The IUPAC name of 1-(4-tert-butylcyclohexyl)-N,2,2-trimethylpropan-1-amine (CID 65400554) is 1-(4-tert-butylcyclohexyl)-N,2,2-trimethylpropan-1-amine.
What is the SMILES notation for 1-(4-tert-butylcyclohexyl)-N,2,2-trimethylpropan-1-amine?
The canonical SMILES for 1-(4-tert-butylcyclohexyl)-N,2,2-trimethylpropan-1-amine is CNC(C1CCC(C(C)(C)C)CC1)C(C)(C)C.
What is the InChIKey of 1-(4-tert-butylcyclohexyl)-N,2,2-trimethylpropan-1-amine?
The InChIKey is TWRYTUHCUKOTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N/c1-15(2,3)13-10-8-12(9-11-13)14(17-7)16(4,5)6/h12-14,17H,8-11H2,1-7H3.
What are the key properties of 1-(4-tert-butylcyclohexyl)-N,2,2-trimethylpropan-1-amine?
1-(4-tert-butylcyclohexyl)-N,2,2-trimethylpropan-1-amine has a molecular weight of 239.45 g/mol, XLogP of 4.47, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-tert-butylcyclohexyl)-N,2,2-trimethylpropan-1-amine is sourced from PubChem (CID 65400554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).