ethane;N-[(3E)-hexa-1,3,5-trien-3-yl]-1-methylpiperidin-4-amine

C14H26N2 — CID 143501788

IUPACethane;N-[(3E)-hexa-1,3,5-trien-3-yl]-1-methylpiperidin-4-amine
SMILESC=C/C=C(\C=C)NC1CCN(C)CC1.CC
InChIInChI=1S/C12H20N2.C2H6/c1-4-6-11(5-2)13-12-7-9-14(3)10-8-12;1-2/h4-6,12-13H,1-2,7-10H2,3H3;1-2H3/b11-6+;
InChIKeyVWYPGPQYPRGCGQ-ICSBZGNSSA-N
MW222.38 g/mol
LogP2.95
Rot. Bonds4

About ethane;N-[(3E)-hexa-1,3,5-trien-3-yl]-1-methylpiperidin-4-amine

ethane;N-[(3E)-hexa-1,3,5-trien-3-yl]-1-methylpiperidin-4-amine (PubChem CID 143501788) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is ethane;N-[(3E)-hexa-1,3,5-trien-3-yl]-1-methylpiperidin-4-amine.

Molecular Properties

Compound Nameethane;N-[(3E)-hexa-1,3,5-trien-3-yl]-1-methylpiperidin-4-amine
PubChem CID143501788
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Nameethane;N-[(3E)-hexa-1,3,5-trien-3-yl]-1-methylpiperidin-4-amine
SMILESC=C/C=C(\C=C)NC1CCN(C)CC1.CC
InChIInChI=1S/C12H20N2.C2H6/c1-4-6-11(5-2)13-12-7-9-14(3)10-8-12;1-2/h4-6,12-13H,1-2,7-10H2,3H3;1-2H3/b11-6+;
InChIKeyVWYPGPQYPRGCGQ-ICSBZGNSSA-N
XLogP2.95
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 52.95
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-(2,5-dihydro-1H-pyrrol-1-yl)piperidine
CID 54595885
1-[(3R)-3-fluoro-1-methylpiperidin-4-yl]-2H-pyridin-3-amine
CID 137449696
1-[(3S)-3-fluoro-1-methylpiperidin-4-yl]-2H-pyridin-3-amine
CID 139383769
N-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]piperidin-4-amine
CID 145284766
(1Z,3Z)-2-fluoro-N'-methyl-N-piperidin-4-ylpenta-1,3-diene-1,5-diamine
CID 156450873
(2Z,4Z)-3-(4-fluoropiperidin-1-yl)hepta-2,4,6-trien-2-amine
CID 156739146
1-[(2Z,4Z)-3-fluoro-5-methylhepta-2,4,6-trien-2-yl]-N-methylpiperidin-4-amine
CID 167025559
3-fluoro-1-piperidin-4-yl-2H-pyridine
CID 174866402
1-methyl-N-(prop-2-en-1-yl)piperidin-4-amine
CID 4711811
1-piperidin-4-yl-2H-pyridin-4-amine
CID 19068126
3-(6-methyl-2H-pyridin-1-yl)propan-1-amine
CID 19899440
N-methyl-3-(2H-pyridin-1-yl)butan-1-amine
CID 23354009

Frequently Asked Questions

What is the IUPAC name of ethane;N-[(3E)-hexa-1,3,5-trien-3-yl]-1-methylpiperidin-4-amine?
The IUPAC name of ethane;N-[(3E)-hexa-1,3,5-trien-3-yl]-1-methylpiperidin-4-amine (CID 143501788) is ethane;N-[(3E)-hexa-1,3,5-trien-3-yl]-1-methylpiperidin-4-amine.
What is the SMILES notation for ethane;N-[(3E)-hexa-1,3,5-trien-3-yl]-1-methylpiperidin-4-amine?
The canonical SMILES for ethane;N-[(3E)-hexa-1,3,5-trien-3-yl]-1-methylpiperidin-4-amine is C=C/C=C(\C=C)NC1CCN(C)CC1.CC.
What is the InChIKey of ethane;N-[(3E)-hexa-1,3,5-trien-3-yl]-1-methylpiperidin-4-amine?
The InChIKey is VWYPGPQYPRGCGQ-ICSBZGNSSA-N. The full InChI is InChI=1S/C12H20N2.C2H6/c1-4-6-11(5-2)13-12-7-9-14(3)10-8-12;1-2/h4-6,12-13H,1-2,7-10H2,3H3;1-2H3/b11-6+;.
What are the key properties of ethane;N-[(3E)-hexa-1,3,5-trien-3-yl]-1-methylpiperidin-4-amine?
ethane;N-[(3E)-hexa-1,3,5-trien-3-yl]-1-methylpiperidin-4-amine has a molecular weight of 222.38 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(3E)-hexa-1,3,5-trien-3-yl]-1-methylpiperidin-4-amine is sourced from PubChem (CID 143501788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).