1-(2-ethenylbut-3-enyl)piperidine;methanamine

C12H24N2 — CID 144798993

IUPAC1-(2-ethenylbut-3-enyl)piperidine;methanamine
SMILESC=CC(C=C)CN1CCCCC1.CN
InChIInChI=1S/C11H19N.CH5N/c1-3-11(4-2)10-12-8-6-5-7-9-12;1-2/h3-4,11H,1-2,5-10H2;2H2,1H3
InChIKeyLQVHBRQEUVPRFU-UHFFFAOYSA-N
MW196.34 g/mol
LogP2.04
Rot. Bonds4

About 1-(2-ethenylbut-3-enyl)piperidine;methanamine

1-(2-ethenylbut-3-enyl)piperidine;methanamine (PubChem CID 144798993) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is 1-(2-ethenylbut-3-enyl)piperidine;methanamine.

Molecular Properties

Compound Name1-(2-ethenylbut-3-enyl)piperidine;methanamine
PubChem CID144798993
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name1-(2-ethenylbut-3-enyl)piperidine;methanamine
SMILESC=CC(C=C)CN1CCCCC1.CN
InChIInChI=1S/C11H19N.CH5N/c1-3-11(4-2)10-12-8-6-5-7-9-12;1-2/h3-4,11H,1-2,5-10H2;2H2,1H3
InChIKeyLQVHBRQEUVPRFU-UHFFFAOYSA-N
XLogP2.04
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 52.04
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

N-(1-pyrrolidin-1-ylpropan-2-yl)but-3-en-2-amine
CID 107906758
1-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrrolidine
CID 159983719
1-(azacyclododec-1-yl)propan-2-ol
CID 58868254
4-methyl-5-pyrrolidin-1-ylpent-1-en-3-one
CID 90939236
1-piperidin-1-ylpentan-2-amine
CID 43650435
1-prop-2-enyl(213C)azinane
CID 173137320
azane;1-(2-methylpropyl)pyrrolidine
CID 122583370
1-[1-(azacyclotetradec-1-yl)propan-2-yl]-azacyclotetradecane
CID 69225763
trimethylsilyl 3-methyl-2-(pyrrolidin-1-ylmethyl)pent-4-enoate
CID 10333312
1-cyclopropyl-3-piperidin-1-ylpropan-2-amine
CID 82407506
3,3-dimethyl-2-(piperidin-1-ylmethyl)butan-1-amine
CID 117242326
4,4-dimethyl-1-piperidin-1-ylpentan-2-amine
CID 117241671

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethenylbut-3-enyl)piperidine;methanamine?
The IUPAC name of 1-(2-ethenylbut-3-enyl)piperidine;methanamine (CID 144798993) is 1-(2-ethenylbut-3-enyl)piperidine;methanamine.
What is the SMILES notation for 1-(2-ethenylbut-3-enyl)piperidine;methanamine?
The canonical SMILES for 1-(2-ethenylbut-3-enyl)piperidine;methanamine is C=CC(C=C)CN1CCCCC1.CN.
What is the InChIKey of 1-(2-ethenylbut-3-enyl)piperidine;methanamine?
The InChIKey is LQVHBRQEUVPRFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N.CH5N/c1-3-11(4-2)10-12-8-6-5-7-9-12;1-2/h3-4,11H,1-2,5-10H2;2H2,1H3.
What are the key properties of 1-(2-ethenylbut-3-enyl)piperidine;methanamine?
1-(2-ethenylbut-3-enyl)piperidine;methanamine has a molecular weight of 196.34 g/mol, XLogP of 2.04, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethenylbut-3-enyl)piperidine;methanamine is sourced from PubChem (CID 144798993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).