N-hex-5-en-2-yl-1-methylpiperidin-4-amine

C12H24N2 — CID 75525498

IUPACN-hex-5-en-2-yl-1-methylpiperidin-4-amine
SMILESC=CCCC(C)NC1CCN(C)CC1
InChIInChI=1S/C12H24N2/c1-4-5-6-11(2)13-12-7-9-14(3)10-8-12/h4,11-13H,1,5-10H2,2-3H3
InChIKeyWGHZHDDGLCSLDR-UHFFFAOYSA-N
MW196.34 g/mol
LogP2.02
Rot. Bonds5

About N-hex-5-en-2-yl-1-methylpiperidin-4-amine

N-hex-5-en-2-yl-1-methylpiperidin-4-amine (PubChem CID 75525498) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is N-hex-5-en-2-yl-1-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-hex-5-en-2-yl-1-methylpiperidin-4-amine
PubChem CID75525498
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC NameN-hex-5-en-2-yl-1-methylpiperidin-4-amine
SMILESC=CCCC(C)NC1CCN(C)CC1
InChIInChI=1S/C12H24N2/c1-4-5-6-11(2)13-12-7-9-14(3)10-8-12/h4,11-13H,1,5-10H2,2-3H3
InChIKeyWGHZHDDGLCSLDR-UHFFFAOYSA-N
XLogP2.02
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 52.02
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 N-hex-5-en-2-yl-1-methylpiperidin-4-amine?
The IUPAC name of N-hex-5-en-2-yl-1-methylpiperidin-4-amine (CID 75525498) is N-hex-5-en-2-yl-1-methylpiperidin-4-amine.
What is the SMILES notation for N-hex-5-en-2-yl-1-methylpiperidin-4-amine?
The canonical SMILES for N-hex-5-en-2-yl-1-methylpiperidin-4-amine is C=CCCC(C)NC1CCN(C)CC1.
What is the InChIKey of N-hex-5-en-2-yl-1-methylpiperidin-4-amine?
The InChIKey is WGHZHDDGLCSLDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2/c1-4-5-6-11(2)13-12-7-9-14(3)10-8-12/h4,11-13H,1,5-10H2,2-3H3.
What are the key properties of N-hex-5-en-2-yl-1-methylpiperidin-4-amine?
N-hex-5-en-2-yl-1-methylpiperidin-4-amine has a molecular weight of 196.34 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-hex-5-en-2-yl-1-methylpiperidin-4-amine is sourced from PubChem (CID 75525498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).