N'-[(Z)-3-methyl-4-methylidenehex-2-en-2-yl]methanimidamide

C9H16N2 — CID 139294854

IUPACN'-[(Z)-3-methyl-4-methylidenehex-2-en-2-yl]methanimidamide
SMILESC=C(CC)/C(C)=C(C)\N=C\N
InChIInChI=1S/C9H16N2/c1-5-7(2)8(3)9(4)11-6-10/h6H,2,5H2,1,3-4H3,(H2,10,11)/b9-8-
InChIKeyZKZCWNQTTBVSPX-HJWRWDBZSA-N
MW152.24 g/mol
LogP2.23
Rot. Bonds3

About N'-[(Z)-3-methyl-4-methylidenehex-2-en-2-yl]methanimidamide

N'-[(Z)-3-methyl-4-methylidenehex-2-en-2-yl]methanimidamide (PubChem CID 139294854) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is N'-[(Z)-3-methyl-4-methylidenehex-2-en-2-yl]methanimidamide.

Molecular Properties

Compound NameN'-[(Z)-3-methyl-4-methylidenehex-2-en-2-yl]methanimidamide
PubChem CID139294854
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC NameN'-[(Z)-3-methyl-4-methylidenehex-2-en-2-yl]methanimidamide
SMILESC=C(CC)/C(C)=C(C)\N=C\N
InChIInChI=1S/C9H16N2/c1-5-7(2)8(3)9(4)11-6-10/h6H,2,5H2,1,3-4H3,(H2,10,11)/b9-8-
InChIKeyZKZCWNQTTBVSPX-HJWRWDBZSA-N
XLogP2.23
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.23
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

N'-[2-[(E)-prop-1-enyl]cyclopenten-1-yl]methanimidamide
CID 68324614
N'-[(2E,4Z)-3-ethenylhepta-2,4-dien-2-yl]methanimidamide
CID 88262945
N'-[(3Z)-2,2-dimethylhexa-3,5-dien-3-yl]methanimidamide
CID 88885628
N'-[(2Z)-4-methylpenta-2,4-dien-2-yl]methanimidamide
CID 88940713
2-[(Z)-3-ethenylhex-2-en-2-yl]guanidine
CID 89938679
N'-(3,4-dimethylhex-2-en-2-yl)methanimidamide
CID 123426188
N'-[(3E,5Z)-nona-3,5,7-trien-3-yl]methanimidamide
CID 123925467
N'-[(2Z,4Z)-4-methylhexa-2,4-dien-2-yl]methanimidamide
CID 126717103
N'-[(Z)-2-methylhept-3-en-3-yl]methanimidamide
CID 139424983
N'-[7,9-dimethyl-6-[(Z)-prop-1-enyl]-8H-benzo[7]annulen-5-yl]methanimidamide
CID 139566296
2-(1-Cyclohepta-1,3,5-trien-1-yl-2-methylprop-1-enyl)-1-methylideneguanidine
CID 142258044
N'-[(2E)-4,5-dimethyl-3-prop-1-en-2-ylhexa-2,4-dien-2-yl]ethanimidamide;ethane
CID 143021132

Frequently Asked Questions

What is the IUPAC name of N'-[(Z)-3-methyl-4-methylidenehex-2-en-2-yl]methanimidamide?
The IUPAC name of N'-[(Z)-3-methyl-4-methylidenehex-2-en-2-yl]methanimidamide (CID 139294854) is N'-[(Z)-3-methyl-4-methylidenehex-2-en-2-yl]methanimidamide.
What is the SMILES notation for N'-[(Z)-3-methyl-4-methylidenehex-2-en-2-yl]methanimidamide?
The canonical SMILES for N'-[(Z)-3-methyl-4-methylidenehex-2-en-2-yl]methanimidamide is C=C(CC)/C(C)=C(C)\N=C\N.
What is the InChIKey of N'-[(Z)-3-methyl-4-methylidenehex-2-en-2-yl]methanimidamide?
The InChIKey is ZKZCWNQTTBVSPX-HJWRWDBZSA-N. The full InChI is InChI=1S/C9H16N2/c1-5-7(2)8(3)9(4)11-6-10/h6H,2,5H2,1,3-4H3,(H2,10,11)/b9-8-.
What are the key properties of N'-[(Z)-3-methyl-4-methylidenehex-2-en-2-yl]methanimidamide?
N'-[(Z)-3-methyl-4-methylidenehex-2-en-2-yl]methanimidamide has a molecular weight of 152.24 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-3-methyl-4-methylidenehex-2-en-2-yl]methanimidamide is sourced from PubChem (CID 139294854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).