1-methyl-N-[(3E)-penta-1,3-dien-2-yl]piperidin-4-amine

C11H20N2 — CID 142467215

IUPAC1-methyl-N-[(3E)-penta-1,3-dien-2-yl]piperidin-4-amine
SMILESC=C(/C=C/C)NC1CCN(C)CC1
InChIInChI=1S/C11H20N2/c1-4-5-10(2)12-11-6-8-13(3)9-7-11/h4-5,11-12H,2,6-9H2,1,3H3/b5-4+
InChIKeyORAFRELVEBNNNY-SNAWJCMRSA-N
MW180.30 g/mol
LogP1.76
Rot. Bonds3

About 1-methyl-N-[(3E)-penta-1,3-dien-2-yl]piperidin-4-amine

1-methyl-N-[(3E)-penta-1,3-dien-2-yl]piperidin-4-amine (PubChem CID 142467215) has the molecular formula C11H20N2 and a molecular weight of 180.30 g/mol. Its IUPAC name is 1-methyl-N-[(3E)-penta-1,3-dien-2-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-methyl-N-[(3E)-penta-1,3-dien-2-yl]piperidin-4-amine
PubChem CID142467215
Molecular FormulaC11H20N2
Molecular Weight180.30 g/mol
Exact Mass180.16
IUPAC Name1-methyl-N-[(3E)-penta-1,3-dien-2-yl]piperidin-4-amine
SMILESC=C(/C=C/C)NC1CCN(C)CC1
InChIInChI=1S/C11H20N2/c1-4-5-10(2)12-11-6-8-13(3)9-7-11/h4-5,11-12H,2,6-9H2,1,3H3/b5-4+
InChIKeyORAFRELVEBNNNY-SNAWJCMRSA-N
XLogP1.76
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.30
LogP ≤ 51.76
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

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CID 137449696
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CID 139383769
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CID 145284766
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CID 156450873
CID 156450873
CID 156739146
CID 156739146
CID 167025559
CID 167025559
CID 174866402
CID 174866402
CID 4711811
CID 4711811
CID 19068126
CID 19068126
CID 19899440
CID 19899440
CID 23354009
CID 23354009

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(3E)-penta-1,3-dien-2-yl]piperidin-4-amine?
The IUPAC name of 1-methyl-N-[(3E)-penta-1,3-dien-2-yl]piperidin-4-amine (CID 142467215) is 1-methyl-N-[(3E)-penta-1,3-dien-2-yl]piperidin-4-amine.
What is the SMILES notation for 1-methyl-N-[(3E)-penta-1,3-dien-2-yl]piperidin-4-amine?
The canonical SMILES for 1-methyl-N-[(3E)-penta-1,3-dien-2-yl]piperidin-4-amine is C=C(/C=C/C)NC1CCN(C)CC1.
What is the InChIKey of 1-methyl-N-[(3E)-penta-1,3-dien-2-yl]piperidin-4-amine?
The InChIKey is ORAFRELVEBNNNY-SNAWJCMRSA-N. The full InChI is InChI=1S/C11H20N2/c1-4-5-10(2)12-11-6-8-13(3)9-7-11/h4-5,11-12H,2,6-9H2,1,3H3/b5-4+.
What are the key properties of 1-methyl-N-[(3E)-penta-1,3-dien-2-yl]piperidin-4-amine?
1-methyl-N-[(3E)-penta-1,3-dien-2-yl]piperidin-4-amine has a molecular weight of 180.30 g/mol, XLogP of 1.76, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(3E)-penta-1,3-dien-2-yl]piperidin-4-amine is sourced from PubChem (CID 142467215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).