N'-ethyl-N-[(3Z,5E)-2-methylhepta-3,5-dien-3-yl]methanimidamide

C11H20N2 — CID 154679318

IUPACN'-ethyl-N-[(3Z,5E)-2-methylhepta-3,5-dien-3-yl]methanimidamide
SMILESC/C=C/C=C(\N/C=N/CC)C(C)C
InChIInChI=1S/C11H20N2/c1-5-7-8-11(10(3)4)13-9-12-6-2/h5,7-10H,6H2,1-4H3,(H,12,13)/b7-5+,11-8-
InChIKeyHPBHRBDAKWBYHB-BFPPUAHJSA-N
MW180.29 g/mol
LogP2.74
Rot. Bonds5

About N'-ethyl-N-[(3Z,5E)-2-methylhepta-3,5-dien-3-yl]methanimidamide

N'-ethyl-N-[(3Z,5E)-2-methylhepta-3,5-dien-3-yl]methanimidamide (PubChem CID 154679318) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is N'-ethyl-N-[(3Z,5E)-2-methylhepta-3,5-dien-3-yl]methanimidamide.

Molecular Properties

Compound NameN'-ethyl-N-[(3Z,5E)-2-methylhepta-3,5-dien-3-yl]methanimidamide
PubChem CID154679318
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC NameN'-ethyl-N-[(3Z,5E)-2-methylhepta-3,5-dien-3-yl]methanimidamide
SMILESC/C=C/C=C(\N/C=N/CC)C(C)C
InChIInChI=1S/C11H20N2/c1-5-7-8-11(10(3)4)13-9-12-6-2/h5,7-10H,6H2,1-4H3,(H,12,13)/b7-5+,11-8-
InChIKeyHPBHRBDAKWBYHB-BFPPUAHJSA-N
XLogP2.74
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-[(Z)-but-1-enyl]-6-methyl-1,4-dihydropyrimidine
CID 89336052
6-Propan-2-yl-1,4-dihydropyrimidine
CID 101687777
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-[(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
N-[(E)-hex-3-en-3-yl]-N'-(2-methylidenebutyl)methanimidamide
CID 123443972
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-[(3E)-7-amino-3,6-dimethylhepta-1,3,5-trien-2-yl]-N'-methylmethanimidamide
CID 123530565

Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N-[(3Z,5E)-2-methylhepta-3,5-dien-3-yl]methanimidamide?
The IUPAC name of N'-ethyl-N-[(3Z,5E)-2-methylhepta-3,5-dien-3-yl]methanimidamide (CID 154679318) is N'-ethyl-N-[(3Z,5E)-2-methylhepta-3,5-dien-3-yl]methanimidamide.
What is the SMILES notation for N'-ethyl-N-[(3Z,5E)-2-methylhepta-3,5-dien-3-yl]methanimidamide?
The canonical SMILES for N'-ethyl-N-[(3Z,5E)-2-methylhepta-3,5-dien-3-yl]methanimidamide is C/C=C/C=C(\N/C=N/CC)C(C)C.
What is the InChIKey of N'-ethyl-N-[(3Z,5E)-2-methylhepta-3,5-dien-3-yl]methanimidamide?
The InChIKey is HPBHRBDAKWBYHB-BFPPUAHJSA-N. The full InChI is InChI=1S/C11H20N2/c1-5-7-8-11(10(3)4)13-9-12-6-2/h5,7-10H,6H2,1-4H3,(H,12,13)/b7-5+,11-8-.
What are the key properties of N'-ethyl-N-[(3Z,5E)-2-methylhepta-3,5-dien-3-yl]methanimidamide?
N'-ethyl-N-[(3Z,5E)-2-methylhepta-3,5-dien-3-yl]methanimidamide has a molecular weight of 180.29 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N-[(3Z,5E)-2-methylhepta-3,5-dien-3-yl]methanimidamide is sourced from PubChem (CID 154679318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).