1-(3-chloro-2-methylprop-2-enyl)-2-methylpiperidin-4-amine

C10H19ClN2 — CID 106439515

IUPAC1-(3-chloro-2-methylprop-2-enyl)-2-methylpiperidin-4-amine
SMILESCC(=CCl)CN1CCC(N)CC1C
InChIInChI=1S/C10H19ClN2/c1-8(6-11)7-13-4-3-10(12)5-9(13)2/h6,9-10H,3-5,7,12H2,1-2H3
InChIKeyNLTXUQSGVBPLME-UHFFFAOYSA-N
MW202.73 g/mol
LogP1.94
Rot. Bonds2

About 1-(3-chloro-2-methylprop-2-enyl)-2-methylpiperidin-4-amine

1-(3-chloro-2-methylprop-2-enyl)-2-methylpiperidin-4-amine (PubChem CID 106439515) has the molecular formula C10H19ClN2 and a molecular weight of 202.73 g/mol. Its IUPAC name is 1-(3-chloro-2-methylprop-2-enyl)-2-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-(3-chloro-2-methylprop-2-enyl)-2-methylpiperidin-4-amine
PubChem CID106439515
Molecular FormulaC10H19ClN2
Molecular Weight202.73 g/mol
Exact Mass202.12
IUPAC Name1-(3-chloro-2-methylprop-2-enyl)-2-methylpiperidin-4-amine
SMILESCC(=CCl)CN1CCC(N)CC1C
InChIInChI=1S/C10H19ClN2/c1-8(6-11)7-13-4-3-10(12)5-9(13)2/h6,9-10H,3-5,7,12H2,1-2H3
InChIKeyNLTXUQSGVBPLME-UHFFFAOYSA-N
XLogP1.94
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.73
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-methylprop-2-enyl)-2-methylpiperidin-4-amine?
The IUPAC name of 1-(3-chloro-2-methylprop-2-enyl)-2-methylpiperidin-4-amine (CID 106439515) is 1-(3-chloro-2-methylprop-2-enyl)-2-methylpiperidin-4-amine.
What is the SMILES notation for 1-(3-chloro-2-methylprop-2-enyl)-2-methylpiperidin-4-amine?
The canonical SMILES for 1-(3-chloro-2-methylprop-2-enyl)-2-methylpiperidin-4-amine is CC(=CCl)CN1CCC(N)CC1C.
What is the InChIKey of 1-(3-chloro-2-methylprop-2-enyl)-2-methylpiperidin-4-amine?
The InChIKey is NLTXUQSGVBPLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19ClN2/c1-8(6-11)7-13-4-3-10(12)5-9(13)2/h6,9-10H,3-5,7,12H2,1-2H3.
What are the key properties of 1-(3-chloro-2-methylprop-2-enyl)-2-methylpiperidin-4-amine?
1-(3-chloro-2-methylprop-2-enyl)-2-methylpiperidin-4-amine has a molecular weight of 202.73 g/mol, XLogP of 1.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-methylprop-2-enyl)-2-methylpiperidin-4-amine is sourced from PubChem (CID 106439515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).