4-tert-butyl-4-propan-2-yl-N-prop-1-en-2-ylcyclohexan-1-amine

C16H31N — CID 122679841

IUPAC4-tert-butyl-4-propan-2-yl-N-prop-1-en-2-ylcyclohexan-1-amine
SMILESC=C(C)NC1CCC(C(C)C)(C(C)(C)C)CC1
InChIInChI=1S/C16H31N/c1-12(2)16(15(5,6)7)10-8-14(9-11-16)17-13(3)4/h12,14,17H,3,8-11H2,1-2,4-7H3
InChIKeyYHLWQLHUGQTEDD-UHFFFAOYSA-N
MW237.43 g/mol
LogP4.74
Rot. Bonds3

About 4-tert-butyl-4-propan-2-yl-N-prop-1-en-2-ylcyclohexan-1-amine

4-tert-butyl-4-propan-2-yl-N-prop-1-en-2-ylcyclohexan-1-amine (PubChem CID 122679841) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is 4-tert-butyl-4-propan-2-yl-N-prop-1-en-2-ylcyclohexan-1-amine.

Molecular Properties

Compound Name4-tert-butyl-4-propan-2-yl-N-prop-1-en-2-ylcyclohexan-1-amine
PubChem CID122679841
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC Name4-tert-butyl-4-propan-2-yl-N-prop-1-en-2-ylcyclohexan-1-amine
SMILESC=C(C)NC1CCC(C(C)C)(C(C)(C)C)CC1
InChIInChI=1S/C16H31N/c1-12(2)16(15(5,6)7)10-8-14(9-11-16)17-13(3)4/h12,14,17H,3,8-11H2,1-2,4-7H3
InChIKeyYHLWQLHUGQTEDD-UHFFFAOYSA-N
XLogP4.74
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.43
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-tert-butyl-N-octylcyclohexan-1-amine
CID 19818704
N-[[2-(aminomethyl)cyclohexyl]methyl]prop-1-en-2-amine
CID 20647282
N-but-3-enyl-4-tert-butylcyclohexan-1-amine
CID 57591335
N-(1-cyclopropylethenyl)-4-(2,2-dimethylpropyl)cyclohexan-1-amine
CID 58476300
8-cyclohexyl-5,5-dimethyl-N-prop-1-en-2-yloctan-1-amine
CID 68257574
N-[(3,3,5-trimethylcyclohexyl)methyl]prop-1-en-2-amine
CID 70257222
4-tert-butyl-N-decylcyclohexan-1-amine
CID 80204371
4-methyl-N-prop-1-en-2-ylcyclohexan-1-amine
CID 89012749
4,4,6,7,7,8-hexamethyl-N-(4-methylpent-1-en-2-yl)nonan-2-amine
CID 126692502
2-methyl-N-[3-(1-methylcyclohexyl)prop-1-en-2-yl]-4-methylidenecyclobutan-1-amine
CID 126714591
4-methyl-N-(3-methylbut-1-en-2-yl)cyclohexan-1-amine
CID 129152420
5-ethyl-6-methyl-N-prop-1-en-2-ylheptan-3-amine
CID 129265469

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-4-propan-2-yl-N-prop-1-en-2-ylcyclohexan-1-amine?
The IUPAC name of 4-tert-butyl-4-propan-2-yl-N-prop-1-en-2-ylcyclohexan-1-amine (CID 122679841) is 4-tert-butyl-4-propan-2-yl-N-prop-1-en-2-ylcyclohexan-1-amine.
What is the SMILES notation for 4-tert-butyl-4-propan-2-yl-N-prop-1-en-2-ylcyclohexan-1-amine?
The canonical SMILES for 4-tert-butyl-4-propan-2-yl-N-prop-1-en-2-ylcyclohexan-1-amine is C=C(C)NC1CCC(C(C)C)(C(C)(C)C)CC1.
What is the InChIKey of 4-tert-butyl-4-propan-2-yl-N-prop-1-en-2-ylcyclohexan-1-amine?
The InChIKey is YHLWQLHUGQTEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N/c1-12(2)16(15(5,6)7)10-8-14(9-11-16)17-13(3)4/h12,14,17H,3,8-11H2,1-2,4-7H3.
What are the key properties of 4-tert-butyl-4-propan-2-yl-N-prop-1-en-2-ylcyclohexan-1-amine?
4-tert-butyl-4-propan-2-yl-N-prop-1-en-2-ylcyclohexan-1-amine has a molecular weight of 237.43 g/mol, XLogP of 4.74, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-4-propan-2-yl-N-prop-1-en-2-ylcyclohexan-1-amine is sourced from PubChem (CID 122679841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).