2-[(4Z)-3,6-dihydroazocin-2-yl]-N-methylethanamine

C10H16N2 — CID 135244701

IUPAC2-[(4Z)-3,6-dihydroazocin-2-yl]-N-methylethanamine
SMILESCNCC/C1=N/C=CC/C=C\C1
InChIInChI=1S/C10H16N2/c1-11-9-7-10-6-4-2-3-5-8-12-10/h2,4-5,8,11H,3,6-7,9H2,1H3/b4-2-,8-5?,12-10+
InChIKeyKAMDCPFIOCOBGL-PFVRRCRASA-N
MW164.25 g/mol
LogP1.90
Rot. Bonds3

About 2-[(4Z)-3,6-dihydroazocin-2-yl]-N-methylethanamine

2-[(4Z)-3,6-dihydroazocin-2-yl]-N-methylethanamine (PubChem CID 135244701) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 2-[(4Z)-3,6-dihydroazocin-2-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[(4Z)-3,6-dihydroazocin-2-yl]-N-methylethanamine
PubChem CID135244701
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name2-[(4Z)-3,6-dihydroazocin-2-yl]-N-methylethanamine
SMILESCNCC/C1=N/C=CC/C=C\C1
InChIInChI=1S/C10H16N2/c1-11-9-7-10-6-4-2-3-5-8-12-10/h2,4-5,8,11H,3,6-7,9H2,1H3/b4-2-,8-5?,12-10+
InChIKeyKAMDCPFIOCOBGL-PFVRRCRASA-N
XLogP1.90
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-N-pentyl-4-pentyliminopent-2-en-2-amine
CID 162409410
(E)-1-(3,4-dihydro-2H-pyrrol-5-yl)-N-ethylprop-1-en-2-amine
CID 68983220
[2-(4,5-Dihydro-3H-pyrrol-2-yl)-1-methyl-vinyl]-ethyl-amine
CID 68983223
[2-(4,5-Dihydro-3H-pyrrol-2-yl)-1-methyl-vinyl]-methyl-amine
CID 69247067
1-(3,4-dihydropyridin-2-yl)-N-(2,3-dihydropyridin-6-ylmethyl)methanamine
CID 70991340
N'-[(E)-6-iminohept-2-en-3-yl]-N-propylethane-1,2-diamine
CID 117627878
N-ethyl-N'-[(E)-6-iminohept-2-en-3-yl]ethane-1,2-diamine
CID 118049452
3-hepta-2,4-dienylimino-N-methylpentan-1-amine
CID 123804230
5,10-Dimethyl-1,2,3,4,8,9-hexahydropyrido[3,2-b]azocin-5-ium
CID 123870333
(Z)-4-ethenylimino-N-methylhex-2-en-2-amine
CID 132019503
4-ethenylimino-N-methylhex-5-en-1-amine
CID 142295426
N-methyl-3-[(Z)-prop-1-enyl]iminopent-4-en-1-amine
CID 143115331

Frequently Asked Questions

What is the IUPAC name of 2-[(4Z)-3,6-dihydroazocin-2-yl]-N-methylethanamine?
The IUPAC name of 2-[(4Z)-3,6-dihydroazocin-2-yl]-N-methylethanamine (CID 135244701) is 2-[(4Z)-3,6-dihydroazocin-2-yl]-N-methylethanamine.
What is the SMILES notation for 2-[(4Z)-3,6-dihydroazocin-2-yl]-N-methylethanamine?
The canonical SMILES for 2-[(4Z)-3,6-dihydroazocin-2-yl]-N-methylethanamine is CNCC/C1=N/C=CC/C=C\C1.
What is the InChIKey of 2-[(4Z)-3,6-dihydroazocin-2-yl]-N-methylethanamine?
The InChIKey is KAMDCPFIOCOBGL-PFVRRCRASA-N. The full InChI is InChI=1S/C10H16N2/c1-11-9-7-10-6-4-2-3-5-8-12-10/h2,4-5,8,11H,3,6-7,9H2,1H3/b4-2-,8-5?,12-10+.
What are the key properties of 2-[(4Z)-3,6-dihydroazocin-2-yl]-N-methylethanamine?
2-[(4Z)-3,6-dihydroazocin-2-yl]-N-methylethanamine has a molecular weight of 164.25 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4Z)-3,6-dihydroazocin-2-yl]-N-methylethanamine is sourced from PubChem (CID 135244701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).