3-ethenylheptan-2-yl(methylidyne)azanium

C10H18N+ — CID 123726744

IUPAC3-ethenylheptan-2-yl(methylidyne)azanium
SMILESC#[N+]C(C)C(C=C)CCCC
InChIInChI=1S/C10H18N/c1-5-7-8-10(6-2)9(3)11-4/h4,6,9-10H,2,5,7-8H2,1,3H3/q+1
InChIKeyPUNPQIPZXXJLEX-UHFFFAOYSA-N
MW152.26 g/mol
LogP3.33
Rot. Bonds5

About 3-ethenylheptan-2-yl(methylidyne)azanium

3-ethenylheptan-2-yl(methylidyne)azanium (PubChem CID 123726744) has the molecular formula C10H18N+ and a molecular weight of 152.26 g/mol. Its IUPAC name is 3-ethenylheptan-2-yl(methylidyne)azanium.

Molecular Properties

Compound Name3-ethenylheptan-2-yl(methylidyne)azanium
PubChem CID123726744
Molecular FormulaC10H18N+
Molecular Weight152.26 g/mol
Exact Mass152.14
IUPAC Name3-ethenylheptan-2-yl(methylidyne)azanium
SMILESC#[N+]C(C)C(C=C)CCCC
InChIInChI=1S/C10H18N/c1-5-7-8-10(6-2)9(3)11-4/h4,6,9-10H,2,5,7-8H2,1,3H3/q+1
InChIKeyPUNPQIPZXXJLEX-UHFFFAOYSA-N
XLogP3.33
TPSA4.36 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.26
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

5-Propyloct-1-en-4-amine
CID 88581300
5-Methyloct-1-en-4-amine
CID 115814387
1-(4-Methylidenecyclohexyl)ethyl-methylidyneazanium
CID 123218456
4-Propyloct-7-en-2-amine
CID 123452457
N,4-dimethyl-N-pentan-2-ylhept-6-en-2-amine
CID 129066441
N,5-dimethyl-N-pent-4-enyloctan-3-amine
CID 129313880
(3R)-N,N,3-trimethyloct-1-en-4-amine
CID 130311586
5-Ethylhept-6-en-2-amine
CID 135177167
5-Methyloct-7-en-2-amine
CID 144158193
(3R)-N-ethyl-N,6-dimethyloct-1-en-3-amine
CID 144378165
5-Ethylhept-6-en-3-amine
CID 145525842
N,N,3-trimethyloct-7-en-4-amine
CID 156478153

Frequently Asked Questions

What is the IUPAC name of 3-ethenylheptan-2-yl(methylidyne)azanium?
The IUPAC name of 3-ethenylheptan-2-yl(methylidyne)azanium (CID 123726744) is 3-ethenylheptan-2-yl(methylidyne)azanium.
What is the SMILES notation for 3-ethenylheptan-2-yl(methylidyne)azanium?
The canonical SMILES for 3-ethenylheptan-2-yl(methylidyne)azanium is C#[N+]C(C)C(C=C)CCCC.
What is the InChIKey of 3-ethenylheptan-2-yl(methylidyne)azanium?
The InChIKey is PUNPQIPZXXJLEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N/c1-5-7-8-10(6-2)9(3)11-4/h4,6,9-10H,2,5,7-8H2,1,3H3/q+1.
What are the key properties of 3-ethenylheptan-2-yl(methylidyne)azanium?
3-ethenylheptan-2-yl(methylidyne)azanium has a molecular weight of 152.26 g/mol, XLogP of 3.33, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenylheptan-2-yl(methylidyne)azanium is sourced from PubChem (CID 123726744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).