1-piperidin-1-ylbuta-1,2-dien-1-amine

C9H16N2 — CID 89066522

IUPAC1-piperidin-1-ylbuta-1,2-dien-1-amine
SMILESCC=C=C(N)N1CCCCC1
InChIInChI=1S/C9H16N2/c1-2-6-9(10)11-7-4-3-5-8-11/h2H,3-5,7-8,10H2,1H3
InChIKeyRATXRQKTCZCFRZ-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.45
Rot. Bonds1

About 1-piperidin-1-ylbuta-1,2-dien-1-amine

1-piperidin-1-ylbuta-1,2-dien-1-amine (PubChem CID 89066522) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 1-piperidin-1-ylbuta-1,2-dien-1-amine.

Molecular Properties

Compound Name1-piperidin-1-ylbuta-1,2-dien-1-amine
PubChem CID89066522
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name1-piperidin-1-ylbuta-1,2-dien-1-amine
SMILESCC=C=C(N)N1CCCCC1
InChIInChI=1S/C9H16N2/c1-2-6-9(10)11-7-4-3-5-8-11/h2H,3-5,7-8,10H2,1H3
InChIKeyRATXRQKTCZCFRZ-UHFFFAOYSA-N
XLogP1.45
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(E)-3-amino-3-piperidin-1-ylprop-2-enenitrile
CID 12708340
(Z)-3-amino-3-piperidin-1-ylprop-2-enenitrile
CID 12708342
1-Piperidin-1-ylprop-1-en-1-amine
CID 66782408
(E)-1-(4-methylpiperidin-1-yl)prop-1-en-1-amine
CID 67892212
(E)-1-N'-hexyl-1-N'-methylprop-1-ene-1,1-diamine
CID 134406464
1-N'-methyl-1-N'-(1-propan-2-ylpiperidin-4-yl)ethene-1,1-diamine
CID 135274366
1-N'-methyl-1-N'-(1-methylpiperidin-4-yl)ethene-1,1-diamine
CID 143795154
1-(1-aminoethenyl)-N,N-dimethylpiperidin-4-amine
CID 144190176
(3E)-4-piperidin-1-ylbuta-1,3-diene-1,1,4-triamine
CID 145197803
(3E)-4-[4-(dimethylamino)piperidin-1-yl]buta-1,3-diene-1,1,4-triamine
CID 145197870
1-(1-aminoethenyl)-N-methyl-N-pentan-3-ylpiperidin-4-amine
CID 166969113
1-N',1-N'-dihexylprop-1-ene-1,1-diamine
CID 173455611

Frequently Asked Questions

What is the IUPAC name of 1-piperidin-1-ylbuta-1,2-dien-1-amine?
The IUPAC name of 1-piperidin-1-ylbuta-1,2-dien-1-amine (CID 89066522) is 1-piperidin-1-ylbuta-1,2-dien-1-amine.
What is the SMILES notation for 1-piperidin-1-ylbuta-1,2-dien-1-amine?
The canonical SMILES for 1-piperidin-1-ylbuta-1,2-dien-1-amine is CC=C=C(N)N1CCCCC1.
What is the InChIKey of 1-piperidin-1-ylbuta-1,2-dien-1-amine?
The InChIKey is RATXRQKTCZCFRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-2-6-9(10)11-7-4-3-5-8-11/h2H,3-5,7-8,10H2,1H3.
What are the key properties of 1-piperidin-1-ylbuta-1,2-dien-1-amine?
1-piperidin-1-ylbuta-1,2-dien-1-amine has a molecular weight of 152.24 g/mol, XLogP of 1.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-piperidin-1-ylbuta-1,2-dien-1-amine is sourced from PubChem (CID 89066522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).