2-methylhex-5-en-2-amine;hydrobromide

C7H16BrN — CID 173131592

IUPAC2-methylhex-5-en-2-amine;hydrobromide
SMILESBr.C=CCCC(C)(C)N
InChIInChI=1S/C7H15N.BrH/c1-4-5-6-7(2,3)8;/h4H,1,5-6,8H2,2-3H3;1H
InChIKeyBCXDCGKNWAMAMG-UHFFFAOYSA-N
MW194.12 g/mol
LogP2.27
Rot. Bonds3

About 2-methylhex-5-en-2-amine;hydrobromide

2-methylhex-5-en-2-amine;hydrobromide (PubChem CID 173131592) has the molecular formula C7H16BrN and a molecular weight of 194.12 g/mol. Its IUPAC name is 2-methylhex-5-en-2-amine;hydrobromide.

Molecular Properties

Compound Name2-methylhex-5-en-2-amine;hydrobromide
PubChem CID173131592
Molecular FormulaC7H16BrN
Molecular Weight194.12 g/mol
Exact Mass193.05
IUPAC Name2-methylhex-5-en-2-amine;hydrobromide
SMILESBr.C=CCCC(C)(C)N
InChIInChI=1S/C7H15N.BrH/c1-4-5-6-7(2,3)8;/h4H,1,5-6,8H2,2-3H3;1H
InChIKeyBCXDCGKNWAMAMG-UHFFFAOYSA-N
XLogP2.27
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.12
LogP ≤ 52.27
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

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CID 163876628
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6,6-dichloro-5,5-dimethylhex-1-ene
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4,7-dimethyldeca-1,9-diene-4,7-diamine
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2-methyl-4-(2-methylpent-4-en-2-yloxy)butan-2-amine
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4-amino-N,4-dimethyl-N-pent-4-enylpentanamide
CID 115740355
2-hydroxy-2-methylhex-5-enenitrile
CID 22561336
3,3,5,5-tetramethylnona-1,8-diene
CID 91102311
2-carbamoyl-2-methylhex-5-enoic acid
CID 114899922
5-methyl-5-prop-2-enoxyhept-1-en-6-yne
CID 14264720
5,5-bis(ethenyl)nona-1,8-diene
CID 100960520

Frequently Asked Questions

What is the IUPAC name of 2-methylhex-5-en-2-amine;hydrobromide?
The IUPAC name of 2-methylhex-5-en-2-amine;hydrobromide (CID 173131592) is 2-methylhex-5-en-2-amine;hydrobromide.
What is the SMILES notation for 2-methylhex-5-en-2-amine;hydrobromide?
The canonical SMILES for 2-methylhex-5-en-2-amine;hydrobromide is Br.C=CCCC(C)(C)N.
What is the InChIKey of 2-methylhex-5-en-2-amine;hydrobromide?
The InChIKey is BCXDCGKNWAMAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N.BrH/c1-4-5-6-7(2,3)8;/h4H,1,5-6,8H2,2-3H3;1H.
What are the key properties of 2-methylhex-5-en-2-amine;hydrobromide?
2-methylhex-5-en-2-amine;hydrobromide has a molecular weight of 194.12 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylhex-5-en-2-amine;hydrobromide is sourced from PubChem (CID 173131592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).