1-(C-but-1-enyl-N-methylcarbonimidoyl)piperidin-4-amine

C11H21N3 — CID 91487969

IUPAC1-(C-but-1-enyl-N-methylcarbonimidoyl)piperidin-4-amine
SMILESCCC=C/C(=N\C)N1CCC(N)CC1
InChIInChI=1S/C11H21N3/c1-3-4-5-11(13-2)14-8-6-10(12)7-9-14/h4-5,10H,3,6-9,12H2,1-2H3/b5-4?,13-11+
InChIKeyZBFCJSRZONMOIJ-KLQVNLTOSA-N
MW195.31 g/mol
LogP1.40
Rot. Bonds2

About 1-(C-but-1-enyl-N-methylcarbonimidoyl)piperidin-4-amine

1-(C-but-1-enyl-N-methylcarbonimidoyl)piperidin-4-amine (PubChem CID 91487969) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 1-(C-but-1-enyl-N-methylcarbonimidoyl)piperidin-4-amine.

Molecular Properties

Compound Name1-(C-but-1-enyl-N-methylcarbonimidoyl)piperidin-4-amine
PubChem CID91487969
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name1-(C-but-1-enyl-N-methylcarbonimidoyl)piperidin-4-amine
SMILESCCC=C/C(=N\C)N1CCC(N)CC1
InChIInChI=1S/C11H21N3/c1-3-4-5-11(13-2)14-8-6-10(12)7-9-14/h4-5,10H,3,6-9,12H2,1-2H3/b5-4?,13-11+
InChIKeyZBFCJSRZONMOIJ-KLQVNLTOSA-N
XLogP1.40
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-pentyl-2,3-dihydropyridin-6-amine
CID 67716703
N'-methyl-N-[3-(2-methylpiperidin-1-yl)propyl]prop-2-enimidamide
CID 123645248
N-[cyclohexa-1,4-dien-1-yl-[4-(methylamino)piperidin-1-yl]methylidene]methanimidamide
CID 123982802
N-[(Z)-4-[butyl(propyl)amino]pent-2-enyl]-N'-methylethanimidamide
CID 143393865
N-methyl-1-pentan-2-yl-2,3-dihydropyridin-6-imine
CID 146550503
1-(2-chloro-4H-azepin-7-yl)piperidin-4-amine
CID 146593505
N-(1-methylpiperidin-4-yl)-2,3-dihydropyridin-6-amine
CID 147429113
2-Methyl-2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azonine
CID 166764270
3-amino-N'-methyl-N-[(Z)-pent-3-enyl]hex-5-enimidamide
CID 167079852
(Z)-N-butan-2-yl-N'-piperidin-4-ylbut-2-enimidamide
CID 169926951
N-(2H-pyrrol-5-yl)piperidin-4-amine
CID 175177090
N-methyl-3-methylidene-4-piperidin-1-yl-2,4-dihydro-1H-azepin-7-imine
CID 177223318

Frequently Asked Questions

What is the IUPAC name of 1-(C-but-1-enyl-N-methylcarbonimidoyl)piperidin-4-amine?
The IUPAC name of 1-(C-but-1-enyl-N-methylcarbonimidoyl)piperidin-4-amine (CID 91487969) is 1-(C-but-1-enyl-N-methylcarbonimidoyl)piperidin-4-amine.
What is the SMILES notation for 1-(C-but-1-enyl-N-methylcarbonimidoyl)piperidin-4-amine?
The canonical SMILES for 1-(C-but-1-enyl-N-methylcarbonimidoyl)piperidin-4-amine is CCC=C/C(=N\C)N1CCC(N)CC1.
What is the InChIKey of 1-(C-but-1-enyl-N-methylcarbonimidoyl)piperidin-4-amine?
The InChIKey is ZBFCJSRZONMOIJ-KLQVNLTOSA-N. The full InChI is InChI=1S/C11H21N3/c1-3-4-5-11(13-2)14-8-6-10(12)7-9-14/h4-5,10H,3,6-9,12H2,1-2H3/b5-4?,13-11+.
What are the key properties of 1-(C-but-1-enyl-N-methylcarbonimidoyl)piperidin-4-amine?
1-(C-but-1-enyl-N-methylcarbonimidoyl)piperidin-4-amine has a molecular weight of 195.31 g/mol, XLogP of 1.40, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(C-but-1-enyl-N-methylcarbonimidoyl)piperidin-4-amine is sourced from PubChem (CID 91487969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).