N,6-dimethylhept-5-en-2-amine;hydrochloride

C9H20ClN — CID 22549

IUPACN,6-dimethylhept-5-en-2-amine;hydrochloride
SMILESCNC(C)CCC=C(C)C.Cl
InChIInChI=1S/C9H19N.ClH/c1-8(2)6-5-7-9(3)10-4;/h6,9-10H,5,7H2,1-4H3;1H
InChIKeyAUERTJOCDMCUAL-UHFFFAOYSA-N
MW177.72 g/mol
LogP2.76
Rot. Bonds4

About N,6-dimethylhept-5-en-2-amine;hydrochloride

N,6-dimethylhept-5-en-2-amine;hydrochloride (PubChem CID 22549) has the molecular formula C9H20ClN and a molecular weight of 177.72 g/mol. Its IUPAC name is N,6-dimethylhept-5-en-2-amine;hydrochloride.

Molecular Properties

Compound NameN,6-dimethylhept-5-en-2-amine;hydrochloride
PubChem CID22549
Molecular FormulaC9H20ClN
Molecular Weight177.72 g/mol
Exact Mass177.13
IUPAC NameN,6-dimethylhept-5-en-2-amine;hydrochloride
SMILESCNC(C)CCC=C(C)C.Cl
InChIInChI=1S/C9H19N.ClH/c1-8(2)6-5-7-9(3)10-4;/h6,9-10H,5,7H2,1-4H3;1H
InChIKeyAUERTJOCDMCUAL-UHFFFAOYSA-N
XLogP2.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.72
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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,6-dimethylhept-5-en-2-amine;hydrochloride?
The IUPAC name of N,6-dimethylhept-5-en-2-amine;hydrochloride (CID 22549) is N,6-dimethylhept-5-en-2-amine;hydrochloride.
What is the SMILES notation for N,6-dimethylhept-5-en-2-amine;hydrochloride?
The canonical SMILES for N,6-dimethylhept-5-en-2-amine;hydrochloride is CNC(C)CCC=C(C)C.Cl.
What is the InChIKey of N,6-dimethylhept-5-en-2-amine;hydrochloride?
The InChIKey is AUERTJOCDMCUAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N.ClH/c1-8(2)6-5-7-9(3)10-4;/h6,9-10H,5,7H2,1-4H3;1H.
What are the key properties of N,6-dimethylhept-5-en-2-amine;hydrochloride?
N,6-dimethylhept-5-en-2-amine;hydrochloride has a molecular weight of 177.72 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethylhept-5-en-2-amine;hydrochloride is sourced from PubChem (CID 22549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).