methyl-(5-methylhex-3-en-3-yl)-propylideneazanium

C11H22N+ — CID 91307207

IUPACmethyl-(5-methylhex-3-en-3-yl)-propylideneazanium
SMILESCC/C=[N+](\C)C(=CC(C)C)CC
InChIInChI=1S/C11H22N/c1-6-8-12(5)11(7-2)9-10(3)4/h8-10H,6-7H2,1-5H3/q+1/b11-9?,12-8+
InChIKeySGVPHQZITRTZNA-NZDKEVKLSA-N
MW168.30 g/mol
LogP3.06
Rot. Bonds4

About methyl-(5-methylhex-3-en-3-yl)-propylideneazanium

methyl-(5-methylhex-3-en-3-yl)-propylideneazanium (PubChem CID 91307207) has the molecular formula C11H22N+ and a molecular weight of 168.30 g/mol. Its IUPAC name is methyl-(5-methylhex-3-en-3-yl)-propylideneazanium.

Molecular Properties

Compound Namemethyl-(5-methylhex-3-en-3-yl)-propylideneazanium
PubChem CID91307207
Molecular FormulaC11H22N+
Molecular Weight168.30 g/mol
Exact Mass168.17
IUPAC Namemethyl-(5-methylhex-3-en-3-yl)-propylideneazanium
SMILESCC/C=[N+](\C)C(=CC(C)C)CC
InChIInChI=1S/C11H22N/c1-6-8-12(5)11(7-2)9-10(3)4/h8-10H,6-7H2,1-5H3/q+1/b11-9?,12-8+
InChIKeySGVPHQZITRTZNA-NZDKEVKLSA-N
XLogP3.06
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.30
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

3,5-dimethyl-3H-pyrrole
CID 10270971
6-Propan-2-yl-3,4-dihydropyridine
CID 14979258
5-propan-2-yl-3H-pyrrole
CID 23560193
1,5-dimethyl-3H-pyrrol-1-ium
CID 53651793
2-methyl-N-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)propan-1-imine
CID 58229508
N-[(Z)-4,4-dimethylpent-2-en-2-yl]-2,2-dimethylpropan-1-imine
CID 59179900
5-ethyl-3-methyl-3H-pyrrole
CID 59933907
2-(3,4-dihydropyridin-6-yl)-N,N-dimethylethanamine
CID 70372271
N-[(Z)-5-methylhex-2-en-2-yl]ethanimine
CID 89193948
3,5-di(propan-2-yl)-3H-pyrrole
CID 89931994
N-[(Z)-pent-2-en-2-yl]butan-1-imine
CID 90048520
N-[(E)-4-methylhex-2-en-2-yl]ethanimine
CID 90864591

Frequently Asked Questions

What is the IUPAC name of methyl-(5-methylhex-3-en-3-yl)-propylideneazanium?
The IUPAC name of methyl-(5-methylhex-3-en-3-yl)-propylideneazanium (CID 91307207) is methyl-(5-methylhex-3-en-3-yl)-propylideneazanium.
What is the SMILES notation for methyl-(5-methylhex-3-en-3-yl)-propylideneazanium?
The canonical SMILES for methyl-(5-methylhex-3-en-3-yl)-propylideneazanium is CC/C=[N+](\C)C(=CC(C)C)CC.
What is the InChIKey of methyl-(5-methylhex-3-en-3-yl)-propylideneazanium?
The InChIKey is SGVPHQZITRTZNA-NZDKEVKLSA-N. The full InChI is InChI=1S/C11H22N/c1-6-8-12(5)11(7-2)9-10(3)4/h8-10H,6-7H2,1-5H3/q+1/b11-9?,12-8+.
What are the key properties of methyl-(5-methylhex-3-en-3-yl)-propylideneazanium?
methyl-(5-methylhex-3-en-3-yl)-propylideneazanium has a molecular weight of 168.30 g/mol, XLogP of 3.06, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-(5-methylhex-3-en-3-yl)-propylideneazanium is sourced from PubChem (CID 91307207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).