(1-but-2-enylpiperidin-2-yl)methanamine

C10H20N2 — CID 76919198

IUPAC(1-but-2-enylpiperidin-2-yl)methanamine
SMILESCC=CCN1CCCCC1CN
InChIInChI=1S/C10H20N2/c1-2-3-7-12-8-5-4-6-10(12)9-11/h2-3,10H,4-9,11H2,1H3
InChIKeyMAEMEHAYICIRRZ-UHFFFAOYSA-N
MW168.28 g/mol
LogP1.38
Rot. Bonds3

About (1-but-2-enylpiperidin-2-yl)methanamine

(1-but-2-enylpiperidin-2-yl)methanamine (PubChem CID 76919198) has the molecular formula C10H20N2 and a molecular weight of 168.28 g/mol. Its IUPAC name is (1-but-2-enylpiperidin-2-yl)methanamine.

Molecular Properties

Compound Name(1-but-2-enylpiperidin-2-yl)methanamine
PubChem CID76919198
Molecular FormulaC10H20N2
Molecular Weight168.28 g/mol
Exact Mass168.16
IUPAC Name(1-but-2-enylpiperidin-2-yl)methanamine
SMILESCC=CCN1CCCCC1CN
InChIInChI=1S/C10H20N2/c1-2-3-7-12-8-5-4-6-10(12)9-11/h2-3,10H,4-9,11H2,1H3
InChIKeyMAEMEHAYICIRRZ-UHFFFAOYSA-N
XLogP1.38
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (1-but-2-enylpiperidin-2-yl)methanamine?
The IUPAC name of (1-but-2-enylpiperidin-2-yl)methanamine (CID 76919198) is (1-but-2-enylpiperidin-2-yl)methanamine.
What is the SMILES notation for (1-but-2-enylpiperidin-2-yl)methanamine?
The canonical SMILES for (1-but-2-enylpiperidin-2-yl)methanamine is CC=CCN1CCCCC1CN.
What is the InChIKey of (1-but-2-enylpiperidin-2-yl)methanamine?
The InChIKey is MAEMEHAYICIRRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2/c1-2-3-7-12-8-5-4-6-10(12)9-11/h2-3,10H,4-9,11H2,1H3.
What are the key properties of (1-but-2-enylpiperidin-2-yl)methanamine?
(1-but-2-enylpiperidin-2-yl)methanamine has a molecular weight of 168.28 g/mol, XLogP of 1.38, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-but-2-enylpiperidin-2-yl)methanamine is sourced from PubChem (CID 76919198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).