(3E)-4-methylhexa-1,3-diene;2-piperidin-4-ylethanamine

C14H28N2 — CID 162737186

IUPAC(3E)-4-methylhexa-1,3-diene;2-piperidin-4-ylethanamine
SMILESC=C/C=C(\C)CC.NCCC1CCNCC1
InChIInChI=1S/C7H16N2.C7H12/c8-4-1-7-2-5-9-6-3-7;1-4-6-7(3)5-2/h7,9H,1-6,8H2;4,6H,1,5H2,2-3H3/b;7-6+
InChIKeyOJQXDUWEVABEPT-UETGHTDLSA-N
MW224.39 g/mol
LogP2.86
Rot. Bonds4

About (3E)-4-methylhexa-1,3-diene;2-piperidin-4-ylethanamine

(3E)-4-methylhexa-1,3-diene;2-piperidin-4-ylethanamine (PubChem CID 162737186) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is (3E)-4-methylhexa-1,3-diene;2-piperidin-4-ylethanamine.

Molecular Properties

Compound Name(3E)-4-methylhexa-1,3-diene;2-piperidin-4-ylethanamine
PubChem CID162737186
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name(3E)-4-methylhexa-1,3-diene;2-piperidin-4-ylethanamine
SMILESC=C/C=C(\C)CC.NCCC1CCNCC1
InChIInChI=1S/C7H16N2.C7H12/c8-4-1-7-2-5-9-6-3-7;1-4-6-7(3)5-2/h7,9H,1-6,8H2;4,6H,1,5H2,2-3H3/b;7-6+
InChIKeyOJQXDUWEVABEPT-UETGHTDLSA-N
XLogP2.86
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-piperidin-4-ylethanamine;trihydrochloride
CID 140995710
4-[(E)-2-methylbut-1-enyl]piperidine
CID 126845850
2-piperidin-4-ylethyl propanoate
CID 53408774
ethane;4-propylpiperidine
CID 142071399
(1Z,3Z)-3-[2-(piperidin-4-ylmethyl)prop-2-enyl]hexa-1,3,5-trien-1-amine
CID 89331657
(3Z,5Z)-4,6-dimethylocta-1,3,5-triene
CID 142052852
[(2E)-2-ethenylpenta-2,4-dienyl] N-(2-piperidin-4-ylethyl)carbamate
CID 142539752
4-(2-bromoethyl)piperidine;ethyl formate
CID 174593815
N-methyl-N-(2-piperidin-4-ylethyl)prop-2-en-1-amine
CID 67726940
2-(3-azaspiro[5.5]undecan-9-yl)ethanamine
CID 59505517
2-(2-piperidin-4-ylethylsulfanyl)ethanamine
CID 105061316
4-(3-hexa-2,4-dien-2-yloxypropyl)piperidine
CID 72602614

Frequently Asked Questions

What is the IUPAC name of (3E)-4-methylhexa-1,3-diene;2-piperidin-4-ylethanamine?
The IUPAC name of (3E)-4-methylhexa-1,3-diene;2-piperidin-4-ylethanamine (CID 162737186) is (3E)-4-methylhexa-1,3-diene;2-piperidin-4-ylethanamine.
What is the SMILES notation for (3E)-4-methylhexa-1,3-diene;2-piperidin-4-ylethanamine?
The canonical SMILES for (3E)-4-methylhexa-1,3-diene;2-piperidin-4-ylethanamine is C=C/C=C(\C)CC.NCCC1CCNCC1.
What is the InChIKey of (3E)-4-methylhexa-1,3-diene;2-piperidin-4-ylethanamine?
The InChIKey is OJQXDUWEVABEPT-UETGHTDLSA-N. The full InChI is InChI=1S/C7H16N2.C7H12/c8-4-1-7-2-5-9-6-3-7;1-4-6-7(3)5-2/h7,9H,1-6,8H2;4,6H,1,5H2,2-3H3/b;7-6+.
What are the key properties of (3E)-4-methylhexa-1,3-diene;2-piperidin-4-ylethanamine?
(3E)-4-methylhexa-1,3-diene;2-piperidin-4-ylethanamine has a molecular weight of 224.39 g/mol, XLogP of 2.86, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-4-methylhexa-1,3-diene;2-piperidin-4-ylethanamine is sourced from PubChem (CID 162737186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).