4-(2-methoxyethyl)hepta-1,6-dien-4-amine;hydrochloride

C10H20ClNO — CID 17365761

IUPAC4-(2-methoxyethyl)hepta-1,6-dien-4-amine;hydrochloride
SMILESC=CCC(N)(CC=C)CCOC.Cl
InChIInChI=1S/C10H19NO.ClH/c1-4-6-10(11,7-5-2)8-9-12-3;/h4-5H,1-2,6-9,11H2,3H3;1H
InChIKeyYRQJJIWCCKNYOD-UHFFFAOYSA-N
MW205.73 g/mol
LogP2.29
Rot. Bonds7

About 4-(2-methoxyethyl)hepta-1,6-dien-4-amine;hydrochloride

4-(2-methoxyethyl)hepta-1,6-dien-4-amine;hydrochloride (PubChem CID 17365761) has the molecular formula C10H20ClNO and a molecular weight of 205.73 g/mol. Its IUPAC name is 4-(2-methoxyethyl)hepta-1,6-dien-4-amine;hydrochloride.

Molecular Properties

Compound Name4-(2-methoxyethyl)hepta-1,6-dien-4-amine;hydrochloride
PubChem CID17365761
Molecular FormulaC10H20ClNO
Molecular Weight205.73 g/mol
Exact Mass205.12
IUPAC Name4-(2-methoxyethyl)hepta-1,6-dien-4-amine;hydrochloride
SMILESC=CCC(N)(CC=C)CCOC.Cl
InChIInChI=1S/C10H19NO.ClH/c1-4-6-10(11,7-5-2)8-9-12-3;/h4-5H,1-2,6-9,11H2,3H3;1H
InChIKeyYRQJJIWCCKNYOD-UHFFFAOYSA-N
XLogP2.29
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.73
LogP ≤ 52.29
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 4-(2-methoxyethyl)hepta-1,6-dien-4-amine;hydrochloride?
The IUPAC name of 4-(2-methoxyethyl)hepta-1,6-dien-4-amine;hydrochloride (CID 17365761) is 4-(2-methoxyethyl)hepta-1,6-dien-4-amine;hydrochloride.
What is the SMILES notation for 4-(2-methoxyethyl)hepta-1,6-dien-4-amine;hydrochloride?
The canonical SMILES for 4-(2-methoxyethyl)hepta-1,6-dien-4-amine;hydrochloride is C=CCC(N)(CC=C)CCOC.Cl.
What is the InChIKey of 4-(2-methoxyethyl)hepta-1,6-dien-4-amine;hydrochloride?
The InChIKey is YRQJJIWCCKNYOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO.ClH/c1-4-6-10(11,7-5-2)8-9-12-3;/h4-5H,1-2,6-9,11H2,3H3;1H.
What are the key properties of 4-(2-methoxyethyl)hepta-1,6-dien-4-amine;hydrochloride?
4-(2-methoxyethyl)hepta-1,6-dien-4-amine;hydrochloride has a molecular weight of 205.73 g/mol, XLogP of 2.29, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxyethyl)hepta-1,6-dien-4-amine;hydrochloride is sourced from PubChem (CID 17365761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).