(6Z)-N-(cyclopropylmethyl)-4,5-dihydro-3H-azocin-2-imine

C11H16N2 — CID 123772661

IUPAC(6Z)-N-(cyclopropylmethyl)-4,5-dihydro-3H-azocin-2-imine
SMILESC1=C\CCCC(=N\CC2CC2)\N=C/1
InChIInChI=1S/C11H16N2/c1-2-4-8-12-11(5-3-1)13-9-10-6-7-10/h2,4,8,10H,1,3,5-7,9H2/b4-2-,12-8-,13-11+
InChIKeyNMLSMJRAUHECLH-QQHFWIISSA-N
MW176.26 g/mol
LogP2.61
Rot. Bonds2

About (6Z)-N-(cyclopropylmethyl)-4,5-dihydro-3H-azocin-2-imine

(6Z)-N-(cyclopropylmethyl)-4,5-dihydro-3H-azocin-2-imine (PubChem CID 123772661) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is (6Z)-N-(cyclopropylmethyl)-4,5-dihydro-3H-azocin-2-imine.

Molecular Properties

Compound Name(6Z)-N-(cyclopropylmethyl)-4,5-dihydro-3H-azocin-2-imine
PubChem CID123772661
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name(6Z)-N-(cyclopropylmethyl)-4,5-dihydro-3H-azocin-2-imine
SMILESC1=C\CCCC(=N\CC2CC2)\N=C/1
InChIInChI=1S/C11H16N2/c1-2-4-8-12-11(5-3-1)13-9-10-6-7-10/h2,4,8,10H,1,3,5-7,9H2/b4-2-,12-8-,13-11+
InChIKeyNMLSMJRAUHECLH-QQHFWIISSA-N
XLogP2.61
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6Z)-N-(cyclopropylmethyl)-4,5-dihydro-3H-azocin-2-imine?
The IUPAC name of (6Z)-N-(cyclopropylmethyl)-4,5-dihydro-3H-azocin-2-imine (CID 123772661) is (6Z)-N-(cyclopropylmethyl)-4,5-dihydro-3H-azocin-2-imine.
What is the SMILES notation for (6Z)-N-(cyclopropylmethyl)-4,5-dihydro-3H-azocin-2-imine?
The canonical SMILES for (6Z)-N-(cyclopropylmethyl)-4,5-dihydro-3H-azocin-2-imine is C1=C\CCCC(=N\CC2CC2)\N=C/1.
What is the InChIKey of (6Z)-N-(cyclopropylmethyl)-4,5-dihydro-3H-azocin-2-imine?
The InChIKey is NMLSMJRAUHECLH-QQHFWIISSA-N. The full InChI is InChI=1S/C11H16N2/c1-2-4-8-12-11(5-3-1)13-9-10-6-7-10/h2,4,8,10H,1,3,5-7,9H2/b4-2-,12-8-,13-11+.
What are the key properties of (6Z)-N-(cyclopropylmethyl)-4,5-dihydro-3H-azocin-2-imine?
(6Z)-N-(cyclopropylmethyl)-4,5-dihydro-3H-azocin-2-imine has a molecular weight of 176.26 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-N-(cyclopropylmethyl)-4,5-dihydro-3H-azocin-2-imine is sourced from PubChem (CID 123772661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).