5-methylhex-2-en-1-amine;hydrochloride

C7H16ClN — CID 173399515

IUPAC5-methylhex-2-en-1-amine;hydrochloride
SMILESCC(C)CC=CCN.Cl
InChIInChI=1S/C7H15N.ClH/c1-7(2)5-3-4-6-8;/h3-4,7H,5-6,8H2,1-2H3;1H
InChIKeyVMIPASNHEICLNG-UHFFFAOYSA-N
MW149.66 g/mol
LogP1.97
Rot. Bonds3

About 5-methylhex-2-en-1-amine;hydrochloride

5-methylhex-2-en-1-amine;hydrochloride (PubChem CID 173399515) has the molecular formula C7H16ClN and a molecular weight of 149.66 g/mol. Its IUPAC name is 5-methylhex-2-en-1-amine;hydrochloride.

Molecular Properties

Compound Name5-methylhex-2-en-1-amine;hydrochloride
PubChem CID173399515
Molecular FormulaC7H16ClN
Molecular Weight149.66 g/mol
Exact Mass149.10
IUPAC Name5-methylhex-2-en-1-amine;hydrochloride
SMILESCC(C)CC=CCN.Cl
InChIInChI=1S/C7H15N.ClH/c1-7(2)5-3-4-6-8;/h3-4,7H,5-6,8H2,1-2H3;1H
InChIKeyVMIPASNHEICLNG-UHFFFAOYSA-N
XLogP1.97
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.66
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(Z,2R)-6-aminohex-4-en-2-ol
CID 164590352
10-methylundeca-3,7-diene
CID 91333064
5-methylhex-2-en-1-ol
CID 12538351
2,4-dimethylpentane;ethane;6-methylhept-3-ene;propane
CID 144507824
2,8-dimethylnon-4-ene
CID 54058844
(2Z,5Z,8Z,11Z,14Z,17Z)-21-methyldocosa-2,5,8,11,14,17-hexaen-1-amine
CID 138745104
2-[(Z)-2,7-dimethyloct-4-enyl]sulfanylethanamine
CID 89197336
6-methylhept-3-enal
CID 91484741
1-bromo-6-methylhept-3-ene
CID 79006953
ethane;(E)-5-methylhex-2-ene
CID 143114143
(E)-2,6-dimethylhept-3-ene
CID 5364654
(E)-4-methylpent-1-en-1-ol
CID 22598252

Frequently Asked Questions

What is the IUPAC name of 5-methylhex-2-en-1-amine;hydrochloride?
The IUPAC name of 5-methylhex-2-en-1-amine;hydrochloride (CID 173399515) is 5-methylhex-2-en-1-amine;hydrochloride.
What is the SMILES notation for 5-methylhex-2-en-1-amine;hydrochloride?
The canonical SMILES for 5-methylhex-2-en-1-amine;hydrochloride is CC(C)CC=CCN.Cl.
What is the InChIKey of 5-methylhex-2-en-1-amine;hydrochloride?
The InChIKey is VMIPASNHEICLNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N.ClH/c1-7(2)5-3-4-6-8;/h3-4,7H,5-6,8H2,1-2H3;1H.
What are the key properties of 5-methylhex-2-en-1-amine;hydrochloride?
5-methylhex-2-en-1-amine;hydrochloride has a molecular weight of 149.66 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylhex-2-en-1-amine;hydrochloride is sourced from PubChem (CID 173399515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).