N-[1-(3-tert-butylcyclohexyl)ethenyl]-N,2-dimethylpropan-2-amine

C17H33N — CID 166896412

IUPACN-[1-(3-tert-butylcyclohexyl)ethenyl]-N,2-dimethylpropan-2-amine
SMILESC=C(C1CCCC(C(C)(C)C)C1)N(C)C(C)(C)C
InChIInChI=1S/C17H33N/c1-13(18(8)17(5,6)7)14-10-9-11-15(12-14)16(2,3)4/h14-15H,1,9-12H2,2-8H3
InChIKeyXTAZJIOLCMMHNQ-UHFFFAOYSA-N
MW251.46 g/mol
LogP5.08
Rot. Bonds2

About N-[1-(3-tert-butylcyclohexyl)ethenyl]-N,2-dimethylpropan-2-amine

N-[1-(3-tert-butylcyclohexyl)ethenyl]-N,2-dimethylpropan-2-amine (PubChem CID 166896412) has the molecular formula C17H33N and a molecular weight of 251.46 g/mol. Its IUPAC name is N-[1-(3-tert-butylcyclohexyl)ethenyl]-N,2-dimethylpropan-2-amine.

Molecular Properties

Compound NameN-[1-(3-tert-butylcyclohexyl)ethenyl]-N,2-dimethylpropan-2-amine
PubChem CID166896412
Molecular FormulaC17H33N
Molecular Weight251.46 g/mol
Exact Mass251.26
IUPAC NameN-[1-(3-tert-butylcyclohexyl)ethenyl]-N,2-dimethylpropan-2-amine
SMILESC=C(C1CCCC(C(C)(C)C)C1)N(C)C(C)(C)C
InChIInChI=1S/C17H33N/c1-13(18(8)17(5,6)7)14-10-9-11-15(12-14)16(2,3)4/h14-15H,1,9-12H2,2-8H3
InChIKeyXTAZJIOLCMMHNQ-UHFFFAOYSA-N
XLogP5.08
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500251.46
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,3-ditert-butylcyclohexane;sulfane
CID 159387743
N-[1-(4-ethylcyclohexyl)ethenyl]-N,2-dimethylpropan-2-amine
CID 170254294
1,4-ditert-butylcycloheptane
CID 58579546
N-tert-butyl-N-(5-tert-butylcyclooctyl)hydroxylamine
CID 167289375
1-(2,3-dimethylbutan-2-yl)-3-prop-1-en-2-ylcyclohexane;methane
CID 142085389
1-tert-butyl-3-chlorocyclohexane
CID 13263671
N,N'-bis[2-(3-prop-1-en-2-ylcyclohexyl)propan-2-yl]methanediimine
CID 155630510
2-[(1R,3R)-3-tert-butylcyclohexyl]acetic acid
CID 57180038
tert-butylcyclobutane;tert-butylcyclohexane;ethane
CID 167597631
trans-(1R,3R)-3-tert-butylcyclopentane-1-carboxylic acid
CID 15315966
1,3-ditert-butylcyclobutane;1,4-ditert-butylcycloheptane;1,3-ditert-butylcyclohexane;1,4-ditert-butylcyclohexane;1,3-ditert-butylcyclopentane;1,2-ditert-butylcyclopropane
CID 159836238
1-tert-butyl-3-methylcyclohexane;propane
CID 177337386

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-tert-butylcyclohexyl)ethenyl]-N,2-dimethylpropan-2-amine?
The IUPAC name of N-[1-(3-tert-butylcyclohexyl)ethenyl]-N,2-dimethylpropan-2-amine (CID 166896412) is N-[1-(3-tert-butylcyclohexyl)ethenyl]-N,2-dimethylpropan-2-amine.
What is the SMILES notation for N-[1-(3-tert-butylcyclohexyl)ethenyl]-N,2-dimethylpropan-2-amine?
The canonical SMILES for N-[1-(3-tert-butylcyclohexyl)ethenyl]-N,2-dimethylpropan-2-amine is C=C(C1CCCC(C(C)(C)C)C1)N(C)C(C)(C)C.
What is the InChIKey of N-[1-(3-tert-butylcyclohexyl)ethenyl]-N,2-dimethylpropan-2-amine?
The InChIKey is XTAZJIOLCMMHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N/c1-13(18(8)17(5,6)7)14-10-9-11-15(12-14)16(2,3)4/h14-15H,1,9-12H2,2-8H3.
What are the key properties of N-[1-(3-tert-butylcyclohexyl)ethenyl]-N,2-dimethylpropan-2-amine?
N-[1-(3-tert-butylcyclohexyl)ethenyl]-N,2-dimethylpropan-2-amine has a molecular weight of 251.46 g/mol, XLogP of 5.08, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-tert-butylcyclohexyl)ethenyl]-N,2-dimethylpropan-2-amine is sourced from PubChem (CID 166896412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).