1-(4-ethenyl-5-methylhex-4-en-3-yl)-4-ethylpiperidin-4-amine

C16H30N2 — CID 145287414

IUPAC1-(4-ethenyl-5-methylhex-4-en-3-yl)-4-ethylpiperidin-4-amine
SMILESC=CC(=C(C)C)C(CC)N1CCC(N)(CC)CC1
InChIInChI=1S/C16H30N2/c1-6-14(13(4)5)15(7-2)18-11-9-16(17,8-3)10-12-18/h6,15H,1,7-12,17H2,2-5H3
InChIKeyLPERIPWTXRIZNE-UHFFFAOYSA-N
MW250.43 g/mol
LogP3.49
Rot. Bonds5

About 1-(4-ethenyl-5-methylhex-4-en-3-yl)-4-ethylpiperidin-4-amine

1-(4-ethenyl-5-methylhex-4-en-3-yl)-4-ethylpiperidin-4-amine (PubChem CID 145287414) has the molecular formula C16H30N2 and a molecular weight of 250.43 g/mol. Its IUPAC name is 1-(4-ethenyl-5-methylhex-4-en-3-yl)-4-ethylpiperidin-4-amine.

Molecular Properties

Compound Name1-(4-ethenyl-5-methylhex-4-en-3-yl)-4-ethylpiperidin-4-amine
PubChem CID145287414
Molecular FormulaC16H30N2
Molecular Weight250.43 g/mol
Exact Mass250.24
IUPAC Name1-(4-ethenyl-5-methylhex-4-en-3-yl)-4-ethylpiperidin-4-amine
SMILESC=CC(=C(C)C)C(CC)N1CCC(N)(CC)CC1
InChIInChI=1S/C16H30N2/c1-6-14(13(4)5)15(7-2)18-11-9-16(17,8-3)10-12-18/h6,15H,1,7-12,17H2,2-5H3
InChIKeyLPERIPWTXRIZNE-UHFFFAOYSA-N
XLogP3.49
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.43
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-[(3E,5E)-6-fluorohepta-1,3,5-trien-3-yl]piperidin-4-amine
CID 88582935
(E,4Z)-4-ethylidene-5-fluoro-1-N,3-dimethyl-1-N-[(2E)-2-methylpenta-2,4-dienyl]hept-5-ene-1,3-diamine
CID 144826856
3-(1-Methylpiperidin-4-yl)cyclopenta-2,4-dien-1-amine
CID 20758858
2-(1-Piperidin-1-ylcyclohexa-2,4-dien-1-yl)ethanamine
CID 70392799
1-(Cyclohexa-1,5-dien-1-ylmethyl)piperidin-4-amine
CID 89205101
(1S)-4-(1-methylpiperidin-4-yl)cyclohexa-2,4-dien-1-amine
CID 89474047
1-[4-(aminomethyl)cyclohexa-2,4-dien-1-yl]-N,N-dimethylpiperidin-4-amine
CID 89847635
N-methyl-1-[(5-methylidenecyclohexa-1,3-dien-1-yl)methyl]piperidin-4-amine
CID 90137191
1-Piperidin-1-yl-4-prop-1-enylhepta-4,6-dien-3-amine
CID 90923690
N,N-diethyl-1-[(3E,4E)-3-ethylidene-4-methylhepta-4,6-dien-2-yl]piperidin-4-amine
CID 117611619
1-(cyclohexa-1,5-dien-1-ylmethyl)-N-methylpiperidin-4-amine
CID 118873050
4-(1-Ethylpiperidin-4-yl)cyclohexa-2,4-dien-1-amine
CID 123529143

Frequently Asked Questions

What is the IUPAC name of 1-(4-ethenyl-5-methylhex-4-en-3-yl)-4-ethylpiperidin-4-amine?
The IUPAC name of 1-(4-ethenyl-5-methylhex-4-en-3-yl)-4-ethylpiperidin-4-amine (CID 145287414) is 1-(4-ethenyl-5-methylhex-4-en-3-yl)-4-ethylpiperidin-4-amine.
What is the SMILES notation for 1-(4-ethenyl-5-methylhex-4-en-3-yl)-4-ethylpiperidin-4-amine?
The canonical SMILES for 1-(4-ethenyl-5-methylhex-4-en-3-yl)-4-ethylpiperidin-4-amine is C=CC(=C(C)C)C(CC)N1CCC(N)(CC)CC1.
What is the InChIKey of 1-(4-ethenyl-5-methylhex-4-en-3-yl)-4-ethylpiperidin-4-amine?
The InChIKey is LPERIPWTXRIZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2/c1-6-14(13(4)5)15(7-2)18-11-9-16(17,8-3)10-12-18/h6,15H,1,7-12,17H2,2-5H3.
What are the key properties of 1-(4-ethenyl-5-methylhex-4-en-3-yl)-4-ethylpiperidin-4-amine?
1-(4-ethenyl-5-methylhex-4-en-3-yl)-4-ethylpiperidin-4-amine has a molecular weight of 250.43 g/mol, XLogP of 3.49, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-ethenyl-5-methylhex-4-en-3-yl)-4-ethylpiperidin-4-amine is sourced from PubChem (CID 145287414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).