(Z)-2-[1-(3-methylpiperidin-1-yl)ethenyl]but-2-en-1-amine

C12H22N2 — CID 144862396

IUPAC(Z)-2-[1-(3-methylpiperidin-1-yl)ethenyl]but-2-en-1-amine
SMILESC=C(/C(=C\C)CN)N1CCCC(C)C1
InChIInChI=1S/C12H22N2/c1-4-12(8-13)11(3)14-7-5-6-10(2)9-14/h4,10H,3,5-9,13H2,1-2H3/b12-4-
InChIKeyGFRWMECWUJWJNM-QCDXTXTGSA-N
MW194.32 g/mol
LogP2.14
Rot. Bonds3

About (Z)-2-[1-(3-methylpiperidin-1-yl)ethenyl]but-2-en-1-amine

(Z)-2-[1-(3-methylpiperidin-1-yl)ethenyl]but-2-en-1-amine (PubChem CID 144862396) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is (Z)-2-[1-(3-methylpiperidin-1-yl)ethenyl]but-2-en-1-amine.

Molecular Properties

Compound Name(Z)-2-[1-(3-methylpiperidin-1-yl)ethenyl]but-2-en-1-amine
PubChem CID144862396
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC Name(Z)-2-[1-(3-methylpiperidin-1-yl)ethenyl]but-2-en-1-amine
SMILESC=C(/C(=C\C)CN)N1CCCC(C)C1
InChIInChI=1S/C12H22N2/c1-4-12(8-13)11(3)14-7-5-6-10(2)9-14/h4,10H,3,5-9,13H2,1-2H3/b12-4-
InChIKeyGFRWMECWUJWJNM-QCDXTXTGSA-N
XLogP2.14
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 52.14
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

(2E)-6-fluoro-2-methyl-7-piperidin-1-ylocta-2,5,7-trien-1-amine
CID 144045723
4-[(3-Methylpiperidin-1-yl)methyl]cyclopenta-1,3-dien-1-amine
CID 58111049
N-methyl-1-[(1R,3R)-3-methyl-6-methylidene-1,2,3,4-tetrahydroquinolizin-1-yl]methanamine
CID 70340208
(2E,4Z)-4-(piperidin-1-ylmethyl)hepta-2,4,6-trien-3-amine
CID 88905163
(3E,5E)-6-[(5R)-3,5-dimethylpiperidin-1-yl]hepta-1,3,5-trien-3-amine
CID 89153950
(2Z)-4-(3,5-dimethylpiperidin-1-yl)penta-2,4-dien-2-amine
CID 89336808
3-[(3-Methylpiperidin-1-yl)methyl]cyclopenta-1,3-dien-1-amine
CID 123761097
1-(3-methylbuta-1,3-dien-2-yl)-N-[(2E,4Z)-5-methylhepta-2,4,6-trien-3-yl]piperidin-4-amine
CID 130178455
3-Methylidene-5-(4-methylpiperidin-1-yl)hexa-1,5-dien-2-amine
CID 132198393
(2Z,4E)-N,5-dimethyl-6-piperidin-1-ylhexa-2,4-dien-2-amine
CID 134406772
4-[(4Z,5E)-4,5-di(ethylidene)-1H-pyrrol-3-yl]-1-methylpiperidine
CID 138711192
(2E,3E,5R)-1-ethyl-2,3-di(ethylidene)-5-methylpiperidine
CID 138726585

Frequently Asked Questions

What is the IUPAC name of (Z)-2-[1-(3-methylpiperidin-1-yl)ethenyl]but-2-en-1-amine?
The IUPAC name of (Z)-2-[1-(3-methylpiperidin-1-yl)ethenyl]but-2-en-1-amine (CID 144862396) is (Z)-2-[1-(3-methylpiperidin-1-yl)ethenyl]but-2-en-1-amine.
What is the SMILES notation for (Z)-2-[1-(3-methylpiperidin-1-yl)ethenyl]but-2-en-1-amine?
The canonical SMILES for (Z)-2-[1-(3-methylpiperidin-1-yl)ethenyl]but-2-en-1-amine is C=C(/C(=C\C)CN)N1CCCC(C)C1.
What is the InChIKey of (Z)-2-[1-(3-methylpiperidin-1-yl)ethenyl]but-2-en-1-amine?
The InChIKey is GFRWMECWUJWJNM-QCDXTXTGSA-N. The full InChI is InChI=1S/C12H22N2/c1-4-12(8-13)11(3)14-7-5-6-10(2)9-14/h4,10H,3,5-9,13H2,1-2H3/b12-4-.
What are the key properties of (Z)-2-[1-(3-methylpiperidin-1-yl)ethenyl]but-2-en-1-amine?
(Z)-2-[1-(3-methylpiperidin-1-yl)ethenyl]but-2-en-1-amine has a molecular weight of 194.32 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[1-(3-methylpiperidin-1-yl)ethenyl]but-2-en-1-amine is sourced from PubChem (CID 144862396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).