2-methyl-1-(4-propan-2-ylcyclohexyl)-N-propylprop-2-en-1-amine

C16H31N — CID 79178837

IUPAC2-methyl-1-(4-propan-2-ylcyclohexyl)-N-propylprop-2-en-1-amine
SMILESC=C(C)C(NCCC)C1CCC(C(C)C)CC1
InChIInChI=1S/C16H31N/c1-6-11-17-16(13(4)5)15-9-7-14(8-10-15)12(2)3/h12,14-17H,4,6-11H2,1-3,5H3
InChIKeyIHHJGPGPIPQERY-UHFFFAOYSA-N
MW237.43 g/mol
LogP4.39
Rot. Bonds6

About 2-methyl-1-(4-propan-2-ylcyclohexyl)-N-propylprop-2-en-1-amine

2-methyl-1-(4-propan-2-ylcyclohexyl)-N-propylprop-2-en-1-amine (PubChem CID 79178837) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is 2-methyl-1-(4-propan-2-ylcyclohexyl)-N-propylprop-2-en-1-amine.

Molecular Properties

Compound Name2-methyl-1-(4-propan-2-ylcyclohexyl)-N-propylprop-2-en-1-amine
PubChem CID79178837
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC Name2-methyl-1-(4-propan-2-ylcyclohexyl)-N-propylprop-2-en-1-amine
SMILESC=C(C)C(NCCC)C1CCC(C(C)C)CC1
InChIInChI=1S/C16H31N/c1-6-11-17-16(13(4)5)15-9-7-14(8-10-15)12(2)3/h12,14-17H,4,6-11H2,1-3,5H3
InChIKeyIHHJGPGPIPQERY-UHFFFAOYSA-N
XLogP4.39
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.43
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-2-methyl-1-(4-propylcyclohexyl)prop-2-en-1-amine
CID 79177741
1-(2,2-dimethylcyclopropyl)-2-methyl-N-propylprop-2-en-1-amine
CID 107004692
2-methyl-1-(2-methyloxolan-3-yl)-N-propylprop-2-en-1-amine
CID 105005567
1-(4-propan-2-ylcyclohexyl)-N-propylpropan-1-amine
CID 65424395
1-cyclopropyl-3-methyl-N-propylbut-2-en-1-amine
CID 79189738
3-methyl-N-propylbut-3-en-2-amine
CID 79177488
2-cyclopropyl-2-(3-methylbut-3-enylamino)acetic acid
CID 114473160
1-(3-ethyl-1,4-dithian-2-yl)-2-methyl-N-propylprop-2-en-1-amine
CID 115388166
1-(3,4-dihydro-2H-chromen-3-yl)-2-methyl-N-propylprop-2-en-1-amine
CID 79177519
N-[[2-(3-methylbut-3-enyl)-4-propan-2-ylcyclohexyl]methyl]propan-1-amine
CID 114477770
1-(4-butylcyclohexyl)-3-methyl-N-propylbut-3-en-1-amine
CID 105004175
3-methyl-1-(3-methylcyclopentyl)-N-propylbut-3-en-1-amine
CID 79185600

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(4-propan-2-ylcyclohexyl)-N-propylprop-2-en-1-amine?
The IUPAC name of 2-methyl-1-(4-propan-2-ylcyclohexyl)-N-propylprop-2-en-1-amine (CID 79178837) is 2-methyl-1-(4-propan-2-ylcyclohexyl)-N-propylprop-2-en-1-amine.
What is the SMILES notation for 2-methyl-1-(4-propan-2-ylcyclohexyl)-N-propylprop-2-en-1-amine?
The canonical SMILES for 2-methyl-1-(4-propan-2-ylcyclohexyl)-N-propylprop-2-en-1-amine is C=C(C)C(NCCC)C1CCC(C(C)C)CC1.
What is the InChIKey of 2-methyl-1-(4-propan-2-ylcyclohexyl)-N-propylprop-2-en-1-amine?
The InChIKey is IHHJGPGPIPQERY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N/c1-6-11-17-16(13(4)5)15-9-7-14(8-10-15)12(2)3/h12,14-17H,4,6-11H2,1-3,5H3.
What are the key properties of 2-methyl-1-(4-propan-2-ylcyclohexyl)-N-propylprop-2-en-1-amine?
2-methyl-1-(4-propan-2-ylcyclohexyl)-N-propylprop-2-en-1-amine has a molecular weight of 237.43 g/mol, XLogP of 4.39, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(4-propan-2-ylcyclohexyl)-N-propylprop-2-en-1-amine is sourced from PubChem (CID 79178837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).