N-but-3-en-2-ylpiperidin-1-amine

C9H18N2 — CID 107907717

IUPACN-but-3-en-2-ylpiperidin-1-amine
SMILESC=CC(C)NN1CCCCC1
InChIInChI=1S/C9H18N2/c1-3-9(2)10-11-7-5-4-6-8-11/h3,9-10H,1,4-8H2,2H3
InChIKeyYLBXPRCLQCGZBC-UHFFFAOYSA-N
MW154.26 g/mol
LogP1.55
Rot. Bonds3

About N-but-3-en-2-ylpiperidin-1-amine

N-but-3-en-2-ylpiperidin-1-amine (PubChem CID 107907717) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is N-but-3-en-2-ylpiperidin-1-amine.

Molecular Properties

Compound NameN-but-3-en-2-ylpiperidin-1-amine
PubChem CID107907717
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC NameN-but-3-en-2-ylpiperidin-1-amine
SMILESC=CC(C)NN1CCCCC1
InChIInChI=1S/C9H18N2/c1-3-9(2)10-11-7-5-4-6-8-11/h3,9-10H,1,4-8H2,2H3
InChIKeyYLBXPRCLQCGZBC-UHFFFAOYSA-N
XLogP1.55
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Allylaminopiperidine
CID 20435879
Diazabicyclo[5.4.0]undec-5-ene
CID 22258625
N-but-3-en-2-ylazepan-1-amine
CID 574624
1-Cyclohexyl-1,2-bis(prop-2-enyl)hydrazine
CID 57220312
1,2,3,4,4a,7,8,9-Octahydropyridazino[1,6-a]azepine
CID 67851456
4-pentyl-N-prop-2-enylpiperazin-1-amine
CID 69247005
1,2,5,5a,6,7,8,9-Octahydropyrido[1,2-b]diazepine
CID 69724115
1-Piperidin-1-yl-2-prop-2-enylhydrazine
CID 69725724
1-Pentyl-1,2-bis(prop-2-enyl)hydrazine
CID 87378355
1,2-Dipentyl-1-prop-2-enylhydrazine
CID 87898539
1,1-Dipentyl-2-prop-2-enylhydrazine
CID 88461529
N-(3-methylbut-3-enyl)piperidin-1-amine
CID 114472483

Frequently Asked Questions

What is the IUPAC name of N-but-3-en-2-ylpiperidin-1-amine?
The IUPAC name of N-but-3-en-2-ylpiperidin-1-amine (CID 107907717) is N-but-3-en-2-ylpiperidin-1-amine.
What is the SMILES notation for N-but-3-en-2-ylpiperidin-1-amine?
The canonical SMILES for N-but-3-en-2-ylpiperidin-1-amine is C=CC(C)NN1CCCCC1.
What is the InChIKey of N-but-3-en-2-ylpiperidin-1-amine?
The InChIKey is YLBXPRCLQCGZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-3-9(2)10-11-7-5-4-6-8-11/h3,9-10H,1,4-8H2,2H3.
What are the key properties of N-but-3-en-2-ylpiperidin-1-amine?
N-but-3-en-2-ylpiperidin-1-amine has a molecular weight of 154.26 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-3-en-2-ylpiperidin-1-amine is sourced from PubChem (CID 107907717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).