N'-methyl-N-[(3Z,5E,8Z)-7-methyl-2,7-dihydro-1H-azonin-5-yl]methanimidamide

C11H17N3 — CID 143159911

IUPACN'-methyl-N-[(3Z,5E,8Z)-7-methyl-2,7-dihydro-1H-azonin-5-yl]methanimidamide
SMILESC/N=C/NC1=C/C(C)/C=C\NC/C=C\1
InChIInChI=1S/C11H17N3/c1-10-5-7-13-6-3-4-11(8-10)14-9-12-2/h3-5,7-10,13H,6H2,1-2H3,(H,12,14)/b4-3-,7-5-,11-8+
InChIKeyOMNBTCHMKVSJRN-AOYOVMBCSA-N
MW191.28 g/mol
LogP1.43
Rot. Bonds2

About N'-methyl-N-[(3Z,5E,8Z)-7-methyl-2,7-dihydro-1H-azonin-5-yl]methanimidamide

N'-methyl-N-[(3Z,5E,8Z)-7-methyl-2,7-dihydro-1H-azonin-5-yl]methanimidamide (PubChem CID 143159911) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is N'-methyl-N-[(3Z,5E,8Z)-7-methyl-2,7-dihydro-1H-azonin-5-yl]methanimidamide.

Molecular Properties

Compound NameN'-methyl-N-[(3Z,5E,8Z)-7-methyl-2,7-dihydro-1H-azonin-5-yl]methanimidamide
PubChem CID143159911
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC NameN'-methyl-N-[(3Z,5E,8Z)-7-methyl-2,7-dihydro-1H-azonin-5-yl]methanimidamide
SMILESC/N=C/NC1=C/C(C)/C=C\NC/C=C\1
InChIInChI=1S/C11H17N3/c1-10-5-7-13-6-3-4-11(8-10)14-9-12-2/h3-5,7-10,13H,6H2,1-2H3,(H,12,14)/b4-3-,7-5-,11-8+
InChIKeyOMNBTCHMKVSJRN-AOYOVMBCSA-N
XLogP1.43
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-[(Z)-but-1-enyl]-6-methyl-1,4-dihydropyrimidine
CID 89336052
5-propan-2-yl-4,9-dihydro-1H-1,3-diazonine
CID 91573404
N'-ethenyl-N-(3-methylpent-2-en-2-yl)methanimidamide
CID 123221162
N'-(1-amino-2-methylprop-2-enyl)-N-[(3Z)-penta-1,3-dien-2-yl]methanimidamide
CID 123298095
5-[(1E,3E)-2,3-dimethylhexa-1,3,5-trienyl]-6-methyl-1,4-dihydropyrimidin-4-amine
CID 123303165
4,4-dimethyl-7-methylidene-1H-1,3-diazepine
CID 123387213
N'-(aminomethyl)-N-[(2Z,4Z)-6-ethyl-7-methylocta-2,4-dien-3-yl]methanimidamide
CID 123432597
N-[(3E)-2,6-dimethylhepta-1,3,5-trien-3-yl]-N'-methylmethanimidamide
CID 123434689
N'-methyl-N-(3-methylidenehexa-1,4-dien-2-yl)methanimidamide
CID 123441819
10-methylidene-4,5-dihydro-1H-1,3-diazecine
CID 123465078
N-but-2-en-2-yl-N'-[(1Z)-3-methylbuta-1,3-dienyl]methanimidamide
CID 123513176
N'-ethyl-N-[(Z)-pent-2-en-2-yl]methanimidamide
CID 123627993

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-[(3Z,5E,8Z)-7-methyl-2,7-dihydro-1H-azonin-5-yl]methanimidamide?
The IUPAC name of N'-methyl-N-[(3Z,5E,8Z)-7-methyl-2,7-dihydro-1H-azonin-5-yl]methanimidamide (CID 143159911) is N'-methyl-N-[(3Z,5E,8Z)-7-methyl-2,7-dihydro-1H-azonin-5-yl]methanimidamide.
What is the SMILES notation for N'-methyl-N-[(3Z,5E,8Z)-7-methyl-2,7-dihydro-1H-azonin-5-yl]methanimidamide?
The canonical SMILES for N'-methyl-N-[(3Z,5E,8Z)-7-methyl-2,7-dihydro-1H-azonin-5-yl]methanimidamide is C/N=C/NC1=C/C(C)/C=C\NC/C=C\1.
What is the InChIKey of N'-methyl-N-[(3Z,5E,8Z)-7-methyl-2,7-dihydro-1H-azonin-5-yl]methanimidamide?
The InChIKey is OMNBTCHMKVSJRN-AOYOVMBCSA-N. The full InChI is InChI=1S/C11H17N3/c1-10-5-7-13-6-3-4-11(8-10)14-9-12-2/h3-5,7-10,13H,6H2,1-2H3,(H,12,14)/b4-3-,7-5-,11-8+.
What are the key properties of N'-methyl-N-[(3Z,5E,8Z)-7-methyl-2,7-dihydro-1H-azonin-5-yl]methanimidamide?
N'-methyl-N-[(3Z,5E,8Z)-7-methyl-2,7-dihydro-1H-azonin-5-yl]methanimidamide has a molecular weight of 191.28 g/mol, XLogP of 1.43, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[(3Z,5E,8Z)-7-methyl-2,7-dihydro-1H-azonin-5-yl]methanimidamide is sourced from PubChem (CID 143159911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).