(6Z)-7-methyl-N-propan-2-yl-4,5-dihydro-3H-azocin-2-imine

C11H18N2 — CID 123182495

IUPAC(6Z)-7-methyl-N-propan-2-yl-4,5-dihydro-3H-azocin-2-imine
SMILESCC1=C/CCCC(=N\C(C)C)/N=C\1
InChIInChI=1S/C11H18N2/c1-9(2)13-11-7-5-4-6-10(3)8-12-11/h6,8-9H,4-5,7H2,1-3H3/b10-6-,12-8-,13-11+
InChIKeyLDCMQOQASZTYMZ-KFRVRMDTSA-N
MW178.28 g/mol
LogP2.99
Rot. Bonds1

About (6Z)-7-methyl-N-propan-2-yl-4,5-dihydro-3H-azocin-2-imine

(6Z)-7-methyl-N-propan-2-yl-4,5-dihydro-3H-azocin-2-imine (PubChem CID 123182495) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is (6Z)-7-methyl-N-propan-2-yl-4,5-dihydro-3H-azocin-2-imine.

Molecular Properties

Compound Name(6Z)-7-methyl-N-propan-2-yl-4,5-dihydro-3H-azocin-2-imine
PubChem CID123182495
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name(6Z)-7-methyl-N-propan-2-yl-4,5-dihydro-3H-azocin-2-imine
SMILESCC1=C/CCCC(=N\C(C)C)/N=C\1
InChIInChI=1S/C11H18N2/c1-9(2)13-11-7-5-4-6-10(3)8-12-11/h6,8-9H,4-5,7H2,1-3H3/b10-6-,12-8-,13-11+
InChIKeyLDCMQOQASZTYMZ-KFRVRMDTSA-N
XLogP2.99
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-butan-2-yl-1-(2,3-dihydropyridin-4-yl)-3-methylbut-2-en-1-imine
CID 90841481
N-(3-methylbut-3-enyl)-3,4-dihydroazepin-2-imine
CID 123185222
(6Z)-N-cyclopropyl-7-methyl-4,5-dihydro-3H-azocin-2-imine
CID 123845736
(Z)-N-(2-methyl-4-methylidene-2,3-dihydropyrrol-5-yl)but-2-en-1-imine
CID 134217353
2,7-Dimethyl-4,5-dihydro-1,3-diazocine
CID 147763095

Frequently Asked Questions

What is the IUPAC name of (6Z)-7-methyl-N-propan-2-yl-4,5-dihydro-3H-azocin-2-imine?
The IUPAC name of (6Z)-7-methyl-N-propan-2-yl-4,5-dihydro-3H-azocin-2-imine (CID 123182495) is (6Z)-7-methyl-N-propan-2-yl-4,5-dihydro-3H-azocin-2-imine.
What is the SMILES notation for (6Z)-7-methyl-N-propan-2-yl-4,5-dihydro-3H-azocin-2-imine?
The canonical SMILES for (6Z)-7-methyl-N-propan-2-yl-4,5-dihydro-3H-azocin-2-imine is CC1=C/CCCC(=N\C(C)C)/N=C\1.
What is the InChIKey of (6Z)-7-methyl-N-propan-2-yl-4,5-dihydro-3H-azocin-2-imine?
The InChIKey is LDCMQOQASZTYMZ-KFRVRMDTSA-N. The full InChI is InChI=1S/C11H18N2/c1-9(2)13-11-7-5-4-6-10(3)8-12-11/h6,8-9H,4-5,7H2,1-3H3/b10-6-,12-8-,13-11+.
What are the key properties of (6Z)-7-methyl-N-propan-2-yl-4,5-dihydro-3H-azocin-2-imine?
(6Z)-7-methyl-N-propan-2-yl-4,5-dihydro-3H-azocin-2-imine has a molecular weight of 178.28 g/mol, XLogP of 2.99, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z)-7-methyl-N-propan-2-yl-4,5-dihydro-3H-azocin-2-imine is sourced from PubChem (CID 123182495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).