4-tert-butyl-N-(4-methylpentan-2-yl)cyclohexan-1-amine

C16H33N — CID 43371977

IUPAC4-tert-butyl-N-(4-methylpentan-2-yl)cyclohexan-1-amine
SMILESCC(C)CC(C)NC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C16H33N/c1-12(2)11-13(3)17-15-9-7-14(8-10-15)16(4,5)6/h12-15,17H,7-11H2,1-6H3
InChIKeyXRTJGZVZWZQZNX-UHFFFAOYSA-N
MW239.45 g/mol
LogP4.62
Rot. Bonds4

About 4-tert-butyl-N-(4-methylpentan-2-yl)cyclohexan-1-amine

4-tert-butyl-N-(4-methylpentan-2-yl)cyclohexan-1-amine (PubChem CID 43371977) has the molecular formula C16H33N and a molecular weight of 239.45 g/mol. Its IUPAC name is 4-tert-butyl-N-(4-methylpentan-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-N-(4-methylpentan-2-yl)cyclohexan-1-amine
PubChem CID43371977
Molecular FormulaC16H33N
Molecular Weight239.45 g/mol
Exact Mass239.26
IUPAC Name4-tert-butyl-N-(4-methylpentan-2-yl)cyclohexan-1-amine
SMILESCC(C)CC(C)NC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C16H33N/c1-12(2)11-13(3)17-15-9-7-14(8-10-15)16(4,5)6/h12-15,17H,7-11H2,1-6H3
InChIKeyXRTJGZVZWZQZNX-UHFFFAOYSA-N
XLogP4.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.45
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-tert-butyl-N-(1-cyclopropylpropan-2-yl)cyclohexan-1-amine
CID 63988054
2-[(4-tert-butylcyclohexyl)amino]-4-methylpentan-1-ol
CID 61242205
N-(4-methylpentan-2-yl)cyclohexanamine
CID 21355503
4-tert-butyl-N-(1-pyrrolidin-1-ylpropan-2-yl)cyclohexan-1-amine
CID 61223216
(6S)-6-[(4-tert-butylcyclohexyl)amino]-2-methylheptan-2-ol
CID 783876
4-tert-butyl-N-propan-2-ylcycloheptan-1-amine
CID 65090392
N-(4-methylpentan-2-yl)-1-propan-2-ylpiperidin-4-amine
CID 43206641
3,4-dimethyl-N-(4-methylpentan-2-yl)cyclohexan-1-amine
CID 64733168
4-tert-butyl-N-(4-methylsulfinylbutan-2-yl)cycloheptan-1-amine
CID 115750469
[1-(4-tert-butylcyclohexyl)-3-methylbutyl]hydrazine
CID 105232627
1-[2-[(4-tert-butylcyclohexyl)amino]propyl]pyrrolidin-2-one
CID 60935140
2-[(4-tert-butylcyclohexyl)amino]-N-ethyl-N-methylpropanamide
CID 103107530

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-(4-methylpentan-2-yl)cyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-N-(4-methylpentan-2-yl)cyclohexan-1-amine (CID 43371977) is 4-tert-butyl-N-(4-methylpentan-2-yl)cyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-N-(4-methylpentan-2-yl)cyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-N-(4-methylpentan-2-yl)cyclohexan-1-amine is CC(C)CC(C)NC1CCC(C(C)(C)C)CC1.
What is the InChIKey of 4-tert-butyl-N-(4-methylpentan-2-yl)cyclohexan-1-amine?
The InChIKey is XRTJGZVZWZQZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N/c1-12(2)11-13(3)17-15-9-7-14(8-10-15)16(4,5)6/h12-15,17H,7-11H2,1-6H3.
What are the key properties of 4-tert-butyl-N-(4-methylpentan-2-yl)cyclohexan-1-amine?
4-tert-butyl-N-(4-methylpentan-2-yl)cyclohexan-1-amine has a molecular weight of 239.45 g/mol, XLogP of 4.62, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-(4-methylpentan-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 43371977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).