azane;3-ethyl-2-methylpent-1-ene;hydrochloride

C8H20ClN — CID 175344836

IUPACazane;3-ethyl-2-methylpent-1-ene;hydrochloride
SMILESC=C(C)C(CC)CC.Cl.N
InChIInChI=1S/C8H16.ClH.H3N/c1-5-8(6-2)7(3)4;;/h8H,3,5-6H2,1-2,4H3;1H;1H3
InChIKeyNJUQODSSVGCFEP-UHFFFAOYSA-N
MW165.71 g/mol
LogP3.58
Rot. Bonds3

About azane;3-ethyl-2-methylpent-1-ene;hydrochloride

azane;3-ethyl-2-methylpent-1-ene;hydrochloride (PubChem CID 175344836) has the molecular formula C8H20ClN and a molecular weight of 165.71 g/mol. Its IUPAC name is azane;3-ethyl-2-methylpent-1-ene;hydrochloride.

Molecular Properties

Compound Nameazane;3-ethyl-2-methylpent-1-ene;hydrochloride
PubChem CID175344836
Molecular FormulaC8H20ClN
Molecular Weight165.71 g/mol
Exact Mass165.13
IUPAC Nameazane;3-ethyl-2-methylpent-1-ene;hydrochloride
SMILESC=C(C)C(CC)CC.Cl.N
InChIInChI=1S/C8H16.ClH.H3N/c1-5-8(6-2)7(3)4;;/h8H,3,5-6H2,1-2,4H3;1H;1H3
InChIKeyNJUQODSSVGCFEP-UHFFFAOYSA-N
XLogP3.58
TPSA35.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.71
LogP ≤ 53.58
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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3-ethyl-2-methyl-6-methylideneoct-1-ene
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3-ethyl-2,7-dimethyloct-1-ene
CID 123570593
ethane;ethene;3-ethyl-N,4-dimethylpent-4-en-1-amine
CID 171815778
2-ethyl-N,3-dimethyl-N-(trimethyl-λ4-sulfanyl)but-3-en-1-amine
CID 146660642
6-ethyl-7-methylocta-1,2,7-triene
CID 91218176
4-ethyl-2-methylhex-1-en-3-one
CID 115780929
3-ethylpent-1-en-2-ylsilane
CID 173047562
(3-ethyl-4-methylpent-4-enyl)benzene
CID 123220776
2,3-dimethylpent-1-ene;ethane
CID 143286891
(NZ)-N-(5-ethyl-2,3,3-trimethylhept-1-en-4-ylidene)hydroxylamine
CID 155125097

Frequently Asked Questions

What is the IUPAC name of azane;3-ethyl-2-methylpent-1-ene;hydrochloride?
The IUPAC name of azane;3-ethyl-2-methylpent-1-ene;hydrochloride (CID 175344836) is azane;3-ethyl-2-methylpent-1-ene;hydrochloride.
What is the SMILES notation for azane;3-ethyl-2-methylpent-1-ene;hydrochloride?
The canonical SMILES for azane;3-ethyl-2-methylpent-1-ene;hydrochloride is C=C(C)C(CC)CC.Cl.N.
What is the InChIKey of azane;3-ethyl-2-methylpent-1-ene;hydrochloride?
The InChIKey is NJUQODSSVGCFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16.ClH.H3N/c1-5-8(6-2)7(3)4;;/h8H,3,5-6H2,1-2,4H3;1H;1H3.
What are the key properties of azane;3-ethyl-2-methylpent-1-ene;hydrochloride?
azane;3-ethyl-2-methylpent-1-ene;hydrochloride has a molecular weight of 165.71 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for azane;3-ethyl-2-methylpent-1-ene;hydrochloride is sourced from PubChem (CID 175344836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).