3-[(Z)-2-(but-1-ynylamino)but-2-enyl]-N-methylpiperidin-1-amine

C14H25N3 — CID 142002248

IUPAC3-[(Z)-2-(but-1-ynylamino)but-2-enyl]-N-methylpiperidin-1-amine
SMILESC/C=C(/CC1CCCN(NC)C1)NC#CCC
InChIInChI=1S/C14H25N3/c1-4-6-9-16-14(5-2)11-13-8-7-10-17(12-13)15-3/h5,13,15-16H,4,7-8,10-12H2,1-3H3/b14-5-
InChIKeyZQQDMRJZOOSQKY-RZNTYIFUSA-N
MW235.38 g/mol
LogP2.09
Rot. Bonds4

About 3-[(Z)-2-(but-1-ynylamino)but-2-enyl]-N-methylpiperidin-1-amine

3-[(Z)-2-(but-1-ynylamino)but-2-enyl]-N-methylpiperidin-1-amine (PubChem CID 142002248) has the molecular formula C14H25N3 and a molecular weight of 235.38 g/mol. Its IUPAC name is 3-[(Z)-2-(but-1-ynylamino)but-2-enyl]-N-methylpiperidin-1-amine.

Molecular Properties

Compound Name3-[(Z)-2-(but-1-ynylamino)but-2-enyl]-N-methylpiperidin-1-amine
PubChem CID142002248
Molecular FormulaC14H25N3
Molecular Weight235.38 g/mol
Exact Mass235.20
IUPAC Name3-[(Z)-2-(but-1-ynylamino)but-2-enyl]-N-methylpiperidin-1-amine
SMILESC/C=C(/CC1CCCN(NC)C1)NC#CCC
InChIInChI=1S/C14H25N3/c1-4-6-9-16-14(5-2)11-13-8-7-10-17(12-13)15-3/h5,13,15-16H,4,7-8,10-12H2,1-3H3/b14-5-
InChIKeyZQQDMRJZOOSQKY-RZNTYIFUSA-N
XLogP2.09
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.38
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'enamine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-methyl-2-[(Z)-4-(1-prop-1-en-2-ylpiperidin-4-yl)but-2-en-2-yl]hydrazine
CID 138654966
N-[4-(2-methylpropyl)octa-1,6,7-trien-2-yl]piperidin-1-amine
CID 144026049
N-(5-methylcyclohexen-1-yl)piperidin-1-amine
CID 144257329
[(Z)-2-methyl-5-piperidin-4-ylhept-3-en-3-yl]hydrazine
CID 156186916
4-(2-Methyl-1,5-dihydropyrazol-3-yl)piperidine
CID 170763584
Ethane;4-propan-2-yl-1,2,4,5,6,7-hexahydropyrazolo[1,5-a]pyridine
CID 171661433
4-Propan-2-yl-1,2,4,5,6,7-hexahydropyrazolo[1,5-a]pyridine
CID 171661434

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-2-(but-1-ynylamino)but-2-enyl]-N-methylpiperidin-1-amine?
The IUPAC name of 3-[(Z)-2-(but-1-ynylamino)but-2-enyl]-N-methylpiperidin-1-amine (CID 142002248) is 3-[(Z)-2-(but-1-ynylamino)but-2-enyl]-N-methylpiperidin-1-amine.
What is the SMILES notation for 3-[(Z)-2-(but-1-ynylamino)but-2-enyl]-N-methylpiperidin-1-amine?
The canonical SMILES for 3-[(Z)-2-(but-1-ynylamino)but-2-enyl]-N-methylpiperidin-1-amine is C/C=C(/CC1CCCN(NC)C1)NC#CCC.
What is the InChIKey of 3-[(Z)-2-(but-1-ynylamino)but-2-enyl]-N-methylpiperidin-1-amine?
The InChIKey is ZQQDMRJZOOSQKY-RZNTYIFUSA-N. The full InChI is InChI=1S/C14H25N3/c1-4-6-9-16-14(5-2)11-13-8-7-10-17(12-13)15-3/h5,13,15-16H,4,7-8,10-12H2,1-3H3/b14-5-.
What are the key properties of 3-[(Z)-2-(but-1-ynylamino)but-2-enyl]-N-methylpiperidin-1-amine?
3-[(Z)-2-(but-1-ynylamino)but-2-enyl]-N-methylpiperidin-1-amine has a molecular weight of 235.38 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-2-(but-1-ynylamino)but-2-enyl]-N-methylpiperidin-1-amine is sourced from PubChem (CID 142002248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).