(7Z)-N,N,8-trimethyl-2-methylimino-5,6-dihydro-1H-1,3-diazocin-4-amine

C10H18N4 — CID 137059244

IUPAC(7Z)-N,N,8-trimethyl-2-methylimino-5,6-dihydro-1H-1,3-diazocin-4-amine
SMILESC/N=C1\N=C(N(C)C)CC/C=C(/C)N1
InChIInChI=1S/C10H18N4/c1-8-6-5-7-9(14(3)4)13-10(11-2)12-8/h6H,5,7H2,1-4H3,(H,11,12)/b8-6-,13-9?
InChIKeyGKIJMCFAOCXELF-IOAGGNQZSA-N
MW194.28 g/mol
LogP1.22
Rot. Bonds

About (7Z)-N,N,8-trimethyl-2-methylimino-5,6-dihydro-1H-1,3-diazocin-4-amine

(7Z)-N,N,8-trimethyl-2-methylimino-5,6-dihydro-1H-1,3-diazocin-4-amine (PubChem CID 137059244) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is (7Z)-N,N,8-trimethyl-2-methylimino-5,6-dihydro-1H-1,3-diazocin-4-amine.

Molecular Properties

Compound Name(7Z)-N,N,8-trimethyl-2-methylimino-5,6-dihydro-1H-1,3-diazocin-4-amine
PubChem CID137059244
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name(7Z)-N,N,8-trimethyl-2-methylimino-5,6-dihydro-1H-1,3-diazocin-4-amine
SMILESC/N=C1\N=C(N(C)C)CC/C=C(/C)N1
InChIInChI=1S/C10H18N4/c1-8-6-5-7-9(14(3)4)13-10(11-2)12-8/h6H,5,7H2,1-4H3,(H,11,12)/b8-6-,13-9?
InChIKeyGKIJMCFAOCXELF-IOAGGNQZSA-N
XLogP1.22
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (7Z)-N,N,8-trimethyl-2-methylimino-5,6-dihydro-1H-1,3-diazocin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

4-(2-fluoropropan-2-yl)-8-pentan-3-ylimino-6,7-dihydro-1H-1,3-diazocin-2-amine
CID 176528116
Ethyl-methyl-[1-(pent-2-en-2-ylamino)butylidene]azanium
CID 123212275
N,N-dimethyl-N'-[1-[[(E)-pent-2-en-2-yl]amino]ethenyl]ethanimidamide
CID 173821435

Frequently Asked Questions

What is the IUPAC name of (7Z)-N,N,8-trimethyl-2-methylimino-5,6-dihydro-1H-1,3-diazocin-4-amine?
The IUPAC name of (7Z)-N,N,8-trimethyl-2-methylimino-5,6-dihydro-1H-1,3-diazocin-4-amine (CID 137059244) is (7Z)-N,N,8-trimethyl-2-methylimino-5,6-dihydro-1H-1,3-diazocin-4-amine.
What is the SMILES notation for (7Z)-N,N,8-trimethyl-2-methylimino-5,6-dihydro-1H-1,3-diazocin-4-amine?
The canonical SMILES for (7Z)-N,N,8-trimethyl-2-methylimino-5,6-dihydro-1H-1,3-diazocin-4-amine is C/N=C1\N=C(N(C)C)CC/C=C(/C)N1.
What is the InChIKey of (7Z)-N,N,8-trimethyl-2-methylimino-5,6-dihydro-1H-1,3-diazocin-4-amine?
The InChIKey is GKIJMCFAOCXELF-IOAGGNQZSA-N. The full InChI is InChI=1S/C10H18N4/c1-8-6-5-7-9(14(3)4)13-10(11-2)12-8/h6H,5,7H2,1-4H3,(H,11,12)/b8-6-,13-9?.
What are the key properties of (7Z)-N,N,8-trimethyl-2-methylimino-5,6-dihydro-1H-1,3-diazocin-4-amine?
(7Z)-N,N,8-trimethyl-2-methylimino-5,6-dihydro-1H-1,3-diazocin-4-amine has a molecular weight of 194.28 g/mol, XLogP of 1.22, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7Z)-N,N,8-trimethyl-2-methylimino-5,6-dihydro-1H-1,3-diazocin-4-amine is sourced from PubChem (CID 137059244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).