[1-(3-chloroprop-2-enyl)-3-methylpiperidin-2-yl]methanamine

C10H19ClN2 — CID 77015374

IUPAC[1-(3-chloroprop-2-enyl)-3-methylpiperidin-2-yl]methanamine
SMILESCC1CCCN(CC=CCl)C1CN
InChIInChI=1S/C10H19ClN2/c1-9-4-2-6-13(7-3-5-11)10(9)8-12/h3,5,9-10H,2,4,6-8,12H2,1H3
InChIKeyJYLCPNLXHXAUQG-UHFFFAOYSA-N
MW202.73 g/mol
LogP1.80
Rot. Bonds3

About [1-(3-chloroprop-2-enyl)-3-methylpiperidin-2-yl]methanamine

[1-(3-chloroprop-2-enyl)-3-methylpiperidin-2-yl]methanamine (PubChem CID 77015374) has the molecular formula C10H19ClN2 and a molecular weight of 202.73 g/mol. Its IUPAC name is [1-(3-chloroprop-2-enyl)-3-methylpiperidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-(3-chloroprop-2-enyl)-3-methylpiperidin-2-yl]methanamine
PubChem CID77015374
Molecular FormulaC10H19ClN2
Molecular Weight202.73 g/mol
Exact Mass202.12
IUPAC Name[1-(3-chloroprop-2-enyl)-3-methylpiperidin-2-yl]methanamine
SMILESCC1CCCN(CC=CCl)C1CN
InChIInChI=1S/C10H19ClN2/c1-9-4-2-6-13(7-3-5-11)10(9)8-12/h3,5,9-10H,2,4,6-8,12H2,1H3
InChIKeyJYLCPNLXHXAUQG-UHFFFAOYSA-N
XLogP1.80
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.73
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(3-chloroprop-2-enyl)-3-methylpiperidin-2-yl]methanamine?
The IUPAC name of [1-(3-chloroprop-2-enyl)-3-methylpiperidin-2-yl]methanamine (CID 77015374) is [1-(3-chloroprop-2-enyl)-3-methylpiperidin-2-yl]methanamine.
What is the SMILES notation for [1-(3-chloroprop-2-enyl)-3-methylpiperidin-2-yl]methanamine?
The canonical SMILES for [1-(3-chloroprop-2-enyl)-3-methylpiperidin-2-yl]methanamine is CC1CCCN(CC=CCl)C1CN.
What is the InChIKey of [1-(3-chloroprop-2-enyl)-3-methylpiperidin-2-yl]methanamine?
The InChIKey is JYLCPNLXHXAUQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19ClN2/c1-9-4-2-6-13(7-3-5-11)10(9)8-12/h3,5,9-10H,2,4,6-8,12H2,1H3.
What are the key properties of [1-(3-chloroprop-2-enyl)-3-methylpiperidin-2-yl]methanamine?
[1-(3-chloroprop-2-enyl)-3-methylpiperidin-2-yl]methanamine has a molecular weight of 202.73 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chloroprop-2-enyl)-3-methylpiperidin-2-yl]methanamine is sourced from PubChem (CID 77015374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).