(E)-4-(azocan-1-yl)-3-methylbut-2-en-1-amine

C12H24N2 — CID 164651290

IUPAC(E)-4-(azocan-1-yl)-3-methylbut-2-en-1-amine
SMILESC/C(=C\CN)CN1CCCCCCC1
InChIInChI=1S/C12H24N2/c1-12(7-8-13)11-14-9-5-3-2-4-6-10-14/h7H,2-6,8-11,13H2,1H3/b12-7+
InChIKeyMXMKOGPIRYLXIF-KPKJPENVSA-N
MW196.34 g/mol
LogP2.16
Rot. Bonds3

About (E)-4-(azocan-1-yl)-3-methylbut-2-en-1-amine

(E)-4-(azocan-1-yl)-3-methylbut-2-en-1-amine (PubChem CID 164651290) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is (E)-4-(azocan-1-yl)-3-methylbut-2-en-1-amine.

Molecular Properties

Compound Name(E)-4-(azocan-1-yl)-3-methylbut-2-en-1-amine
PubChem CID164651290
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name(E)-4-(azocan-1-yl)-3-methylbut-2-en-1-amine
SMILESC/C(=C\CN)CN1CCCCCCC1
InChIInChI=1S/C12H24N2/c1-12(7-8-13)11-14-9-5-3-2-4-6-10-14/h7H,2-6,8-11,13H2,1H3/b12-7+
InChIKeyMXMKOGPIRYLXIF-KPKJPENVSA-N
XLogP2.16
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (E)-4-(azocan-1-yl)-3-methylbut-2-en-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-4-(1,2,5-dithiazepan-5-yl)-3-methylbut-2-en-1-amine
CID 164651264
1-[(E)-2-methylnon-2-enyl]piperidine
CID 10966138
1-(2-methyl-3-pyrrolidin-1-ylprop-1-enyl)pyrrolidine
CID 131865391
ethyl (E)-3-methyl-4-piperidin-1-ylbut-2-enoate
CID 59333090
(2-methyl-3-pyrrolidin-1-ylprop-1-enyl)-dipropylsilane
CID 154195579
(E)-2-methyl-4-piperidin-1-ylbut-2-en-1-ol
CID 14658329
ethane;1-piperidin-1-ylpropan-2-one
CID 90726504
ethane;piperidin-1-ylmethanamine
CID 166079141
3-methyl-1-piperidin-1-ylbutan-2-one
CID 160735866
2-(azepan-1-yl)ethanethioamide
CID 24695498
1-(3-methyl-2-methylidenebut-3-enyl)pyrrolidine
CID 153374004
ethyl 2-(azocan-1-yl)acetate
CID 25219274

Frequently Asked Questions

What is the IUPAC name of (E)-4-(azocan-1-yl)-3-methylbut-2-en-1-amine?
The IUPAC name of (E)-4-(azocan-1-yl)-3-methylbut-2-en-1-amine (CID 164651290) is (E)-4-(azocan-1-yl)-3-methylbut-2-en-1-amine.
What is the SMILES notation for (E)-4-(azocan-1-yl)-3-methylbut-2-en-1-amine?
The canonical SMILES for (E)-4-(azocan-1-yl)-3-methylbut-2-en-1-amine is C/C(=C\CN)CN1CCCCCCC1.
What is the InChIKey of (E)-4-(azocan-1-yl)-3-methylbut-2-en-1-amine?
The InChIKey is MXMKOGPIRYLXIF-KPKJPENVSA-N. The full InChI is InChI=1S/C12H24N2/c1-12(7-8-13)11-14-9-5-3-2-4-6-10-14/h7H,2-6,8-11,13H2,1H3/b12-7+.
What are the key properties of (E)-4-(azocan-1-yl)-3-methylbut-2-en-1-amine?
(E)-4-(azocan-1-yl)-3-methylbut-2-en-1-amine has a molecular weight of 196.34 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-(azocan-1-yl)-3-methylbut-2-en-1-amine is sourced from PubChem (CID 164651290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).