(5-amino-4-methylpent-4-enyl)-diethyl-methylazanium

C11H25N2+ — CID 175132384

IUPAC(5-amino-4-methylpent-4-enyl)-diethyl-methylazanium
SMILESCC[N+](C)(CC)CCCC(C)=CN
InChIInChI=1S/C11H25N2/c1-5-13(4,6-2)9-7-8-11(3)10-12/h10H,5-9,12H2,1-4H3/q+1
InChIKeyVEWBTRJWGGQWHP-UHFFFAOYSA-N
MW185.33 g/mol
LogP2.12
Rot. Bonds6

About (5-amino-4-methylpent-4-enyl)-diethyl-methylazanium

(5-amino-4-methylpent-4-enyl)-diethyl-methylazanium (PubChem CID 175132384) has the molecular formula C11H25N2+ and a molecular weight of 185.33 g/mol. Its IUPAC name is (5-amino-4-methylpent-4-enyl)-diethyl-methylazanium.

Molecular Properties

Compound Name(5-amino-4-methylpent-4-enyl)-diethyl-methylazanium
PubChem CID175132384
Molecular FormulaC11H25N2+
Molecular Weight185.33 g/mol
Exact Mass185.20
IUPAC Name(5-amino-4-methylpent-4-enyl)-diethyl-methylazanium
SMILESCC[N+](C)(CC)CCCC(C)=CN
InChIInChI=1S/C11H25N2/c1-5-13(4,6-2)9-7-8-11(3)10-12/h10H,5-9,12H2,1-4H3/q+1
InChIKeyVEWBTRJWGGQWHP-UHFFFAOYSA-N
XLogP2.12
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.33
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5-amino-4-methylpent-4-enyl)-diethyl-methylazanium?
The IUPAC name of (5-amino-4-methylpent-4-enyl)-diethyl-methylazanium (CID 175132384) is (5-amino-4-methylpent-4-enyl)-diethyl-methylazanium.
What is the SMILES notation for (5-amino-4-methylpent-4-enyl)-diethyl-methylazanium?
The canonical SMILES for (5-amino-4-methylpent-4-enyl)-diethyl-methylazanium is CC[N+](C)(CC)CCCC(C)=CN.
What is the InChIKey of (5-amino-4-methylpent-4-enyl)-diethyl-methylazanium?
The InChIKey is VEWBTRJWGGQWHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N2/c1-5-13(4,6-2)9-7-8-11(3)10-12/h10H,5-9,12H2,1-4H3/q+1.
What are the key properties of (5-amino-4-methylpent-4-enyl)-diethyl-methylazanium?
(5-amino-4-methylpent-4-enyl)-diethyl-methylazanium has a molecular weight of 185.33 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-4-methylpent-4-enyl)-diethyl-methylazanium is sourced from PubChem (CID 175132384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).