N-methylidene-N'-[1-[methyl(3-methylpent-4-enyl)amino]ethenyl]methanimidamide

C11H19N3 — CID 123593836

IUPACN-methylidene-N'-[1-[methyl(3-methylpent-4-enyl)amino]ethenyl]methanimidamide
SMILESC=CC(C)CCN(C)C(=C)N=CN=C
InChIInChI=1S/C11H19N3/c1-6-10(2)7-8-14(5)11(3)13-9-12-4/h6,9-10H,1,3-4,7-8H2,2,5H3
InChIKeyTVCIEZUUGBDXDX-UHFFFAOYSA-N
MW193.29 g/mol
LogP2.33
Rot. Bonds7

About N-methylidene-N'-[1-[methyl(3-methylpent-4-enyl)amino]ethenyl]methanimidamide

N-methylidene-N'-[1-[methyl(3-methylpent-4-enyl)amino]ethenyl]methanimidamide (PubChem CID 123593836) has the molecular formula C11H19N3 and a molecular weight of 193.29 g/mol. Its IUPAC name is N-methylidene-N'-[1-[methyl(3-methylpent-4-enyl)amino]ethenyl]methanimidamide.

Molecular Properties

Compound NameN-methylidene-N'-[1-[methyl(3-methylpent-4-enyl)amino]ethenyl]methanimidamide
PubChem CID123593836
Molecular FormulaC11H19N3
Molecular Weight193.29 g/mol
Exact Mass193.16
IUPAC NameN-methylidene-N'-[1-[methyl(3-methylpent-4-enyl)amino]ethenyl]methanimidamide
SMILESC=CC(C)CCN(C)C(=C)N=CN=C
InChIInChI=1S/C11H19N3/c1-6-10(2)7-8-14(5)11(3)13-9-12-4/h6,9-10H,1,3-4,7-8H2,2,5H3
InChIKeyTVCIEZUUGBDXDX-UHFFFAOYSA-N
XLogP2.33
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1,5,6-trimethyl-5,6-dihydro-4H-1,3-diazocine
CID 123863290
(7E)-3,5-dimethyl-5,6-dihydro-4H-1,3-diazocine
CID 130445132

Frequently Asked Questions

What is the IUPAC name of N-methylidene-N'-[1-[methyl(3-methylpent-4-enyl)amino]ethenyl]methanimidamide?
The IUPAC name of N-methylidene-N'-[1-[methyl(3-methylpent-4-enyl)amino]ethenyl]methanimidamide (CID 123593836) is N-methylidene-N'-[1-[methyl(3-methylpent-4-enyl)amino]ethenyl]methanimidamide.
What is the SMILES notation for N-methylidene-N'-[1-[methyl(3-methylpent-4-enyl)amino]ethenyl]methanimidamide?
The canonical SMILES for N-methylidene-N'-[1-[methyl(3-methylpent-4-enyl)amino]ethenyl]methanimidamide is C=CC(C)CCN(C)C(=C)N=CN=C.
What is the InChIKey of N-methylidene-N'-[1-[methyl(3-methylpent-4-enyl)amino]ethenyl]methanimidamide?
The InChIKey is TVCIEZUUGBDXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3/c1-6-10(2)7-8-14(5)11(3)13-9-12-4/h6,9-10H,1,3-4,7-8H2,2,5H3.
What are the key properties of N-methylidene-N'-[1-[methyl(3-methylpent-4-enyl)amino]ethenyl]methanimidamide?
N-methylidene-N'-[1-[methyl(3-methylpent-4-enyl)amino]ethenyl]methanimidamide has a molecular weight of 193.29 g/mol, XLogP of 2.33, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylidene-N'-[1-[methyl(3-methylpent-4-enyl)amino]ethenyl]methanimidamide is sourced from PubChem (CID 123593836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).