(2E)-3,7-dimethylocta-2,6-dien-1-amine;hydrochloride

C10H20ClN — CID 11298432

IUPAC(2E)-3,7-dimethylocta-2,6-dien-1-amine;hydrochloride
SMILESCC(C)=CCC/C(C)=C/CN.Cl
InChIInChI=1S/C10H19N.ClH/c1-9(2)5-4-6-10(3)7-8-11;/h5,7H,4,6,8,11H2,1-3H3;1H/b10-7+;
InChIKeyYXFOAGWDCVUEKH-HCUGZAAXSA-N
MW189.73 g/mol
LogP3.06
Rot. Bonds4

About (2E)-3,7-dimethylocta-2,6-dien-1-amine;hydrochloride

(2E)-3,7-dimethylocta-2,6-dien-1-amine;hydrochloride (PubChem CID 11298432) has the molecular formula C10H20ClN and a molecular weight of 189.73 g/mol. Its IUPAC name is (2E)-3,7-dimethylocta-2,6-dien-1-amine;hydrochloride.

Molecular Properties

Compound Name(2E)-3,7-dimethylocta-2,6-dien-1-amine;hydrochloride
PubChem CID11298432
Molecular FormulaC10H20ClN
Molecular Weight189.73 g/mol
Exact Mass189.13
IUPAC Name(2E)-3,7-dimethylocta-2,6-dien-1-amine;hydrochloride
SMILESCC(C)=CCC/C(C)=C/CN.Cl
InChIInChI=1S/C10H19N.ClH/c1-9(2)5-4-6-10(3)7-8-11;/h5,7H,4,6,8,11H2,1-3H3;1H/b10-7+;
InChIKeyYXFOAGWDCVUEKH-HCUGZAAXSA-N
XLogP3.06
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.73
LogP ≤ 53.06
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 (2E)-3,7-dimethylocta-2,6-dien-1-amine;hydrochloride?
The IUPAC name of (2E)-3,7-dimethylocta-2,6-dien-1-amine;hydrochloride (CID 11298432) is (2E)-3,7-dimethylocta-2,6-dien-1-amine;hydrochloride.
What is the SMILES notation for (2E)-3,7-dimethylocta-2,6-dien-1-amine;hydrochloride?
The canonical SMILES for (2E)-3,7-dimethylocta-2,6-dien-1-amine;hydrochloride is CC(C)=CCC/C(C)=C/CN.Cl.
What is the InChIKey of (2E)-3,7-dimethylocta-2,6-dien-1-amine;hydrochloride?
The InChIKey is YXFOAGWDCVUEKH-HCUGZAAXSA-N. The full InChI is InChI=1S/C10H19N.ClH/c1-9(2)5-4-6-10(3)7-8-11;/h5,7H,4,6,8,11H2,1-3H3;1H/b10-7+;.
What are the key properties of (2E)-3,7-dimethylocta-2,6-dien-1-amine;hydrochloride?
(2E)-3,7-dimethylocta-2,6-dien-1-amine;hydrochloride has a molecular weight of 189.73 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-3,7-dimethylocta-2,6-dien-1-amine;hydrochloride is sourced from PubChem (CID 11298432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).