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

C11H20N2 — CID 134485786

IUPACN-methyl-1-[(3Z)-penta-1,3-dien-2-yl]piperidin-3-amine
SMILESC=C(/C=C\C)N1CCCC(NC)C1
InChIInChI=1S/C11H20N2/c1-4-6-10(2)13-8-5-7-11(9-13)12-3/h4,6,11-12H,2,5,7-9H2,1,3H3/b6-4-
InChIKeyACPKKEDCIWSNAG-XQRVVYSFSA-N
MW180.30 g/mol
LogP1.76
Rot. Bonds3

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

N-methyl-1-[(3Z)-penta-1,3-dien-2-yl]piperidin-3-amine (PubChem CID 134485786) has the molecular formula C11H20N2 and a molecular weight of 180.30 g/mol. Its IUPAC name is N-methyl-1-[(3Z)-penta-1,3-dien-2-yl]piperidin-3-amine.

Molecular Properties

Compound NameN-methyl-1-[(3Z)-penta-1,3-dien-2-yl]piperidin-3-amine
PubChem CID134485786
Molecular FormulaC11H20N2
Molecular Weight180.30 g/mol
Exact Mass180.16
IUPAC NameN-methyl-1-[(3Z)-penta-1,3-dien-2-yl]piperidin-3-amine
SMILESC=C(/C=C\C)N1CCCC(NC)C1
InChIInChI=1S/C11H20N2/c1-4-6-10(2)13-8-5-7-11(9-13)12-3/h4,6,11-12H,2,5,7-9H2,1,3H3/b6-4-
InChIKeyACPKKEDCIWSNAG-XQRVVYSFSA-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

(2S)-1-[(2E,4E)-5-fluorohexa-2,4-dien-2-yl]-2-methylpiperazine
CID 129212975
1-[(3R)-3-fluoro-1-methylpiperidin-4-yl]-2H-pyridin-3-amine
CID 137449696
1-[1-(2-fluoroethyl)piperidin-3-yl]-2H-pyridin-3-amine
CID 139373459
1-[(3S)-3-fluoro-1-methylpiperidin-4-yl]-2H-pyridin-3-amine
CID 139383769
1-[1-(2-fluoroethyl)piperidin-4-yl]-2H-pyridin-3-amine
CID 139383870
5-fluoro-1-(1-methylpiperidin-4-yl)-2H-pyridin-3-amine
CID 139390472
N-[(3Z)-5-fluorohexa-1,3,5-trien-2-yl]piperidin-4-amine
CID 145284766
1-hexyl-2H-pyridin-3-amine
CID 17861066
1-piperidin-4-yl-2H-pyridin-4-amine
CID 19068126
N-methyl-N-[[(2S)-piperidin-2-yl]methyl]prop-2-en-1-amine
CID 22854132
1-Pent-2-en-2-yl-2-propylpiperazine
CID 54111605
1-(5-methylidene-1-propan-2-yl-2H-pyrrol-3-yl)piperidine
CID 58336937

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[(3Z)-penta-1,3-dien-2-yl]piperidin-3-amine?
The IUPAC name of N-methyl-1-[(3Z)-penta-1,3-dien-2-yl]piperidin-3-amine (CID 134485786) is N-methyl-1-[(3Z)-penta-1,3-dien-2-yl]piperidin-3-amine.
What is the SMILES notation for N-methyl-1-[(3Z)-penta-1,3-dien-2-yl]piperidin-3-amine?
The canonical SMILES for N-methyl-1-[(3Z)-penta-1,3-dien-2-yl]piperidin-3-amine is C=C(/C=C\C)N1CCCC(NC)C1.
What is the InChIKey of N-methyl-1-[(3Z)-penta-1,3-dien-2-yl]piperidin-3-amine?
The InChIKey is ACPKKEDCIWSNAG-XQRVVYSFSA-N. The full InChI is InChI=1S/C11H20N2/c1-4-6-10(2)13-8-5-7-11(9-13)12-3/h4,6,11-12H,2,5,7-9H2,1,3H3/b6-4-.
What are the key properties of N-methyl-1-[(3Z)-penta-1,3-dien-2-yl]piperidin-3-amine?
N-methyl-1-[(3Z)-penta-1,3-dien-2-yl]piperidin-3-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 N-methyl-1-[(3Z)-penta-1,3-dien-2-yl]piperidin-3-amine is sourced from PubChem (CID 134485786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).