N'-[(3Z)-3-ethyl-5-methylhexa-1,3,5-trien-2-yl]methanimidamide

C10H16N2 — CID 143256174

IUPACN'-[(3Z)-3-ethyl-5-methylhexa-1,3,5-trien-2-yl]methanimidamide
SMILESC=C(C)/C=C(/CC)C(=C)/N=C/N
InChIInChI=1S/C10H16N2/c1-5-10(6-8(2)3)9(4)12-7-11/h6-7H,2,4-5H2,1,3H3,(H2,11,12)/b10-6-
InChIKeyKXXCPPHNAIVKNN-POHAHGRESA-N
MW164.25 g/mol
LogP2.40
Rot. Bonds4

About N'-[(3Z)-3-ethyl-5-methylhexa-1,3,5-trien-2-yl]methanimidamide

N'-[(3Z)-3-ethyl-5-methylhexa-1,3,5-trien-2-yl]methanimidamide (PubChem CID 143256174) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is N'-[(3Z)-3-ethyl-5-methylhexa-1,3,5-trien-2-yl]methanimidamide.

Molecular Properties

Compound NameN'-[(3Z)-3-ethyl-5-methylhexa-1,3,5-trien-2-yl]methanimidamide
PubChem CID143256174
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC NameN'-[(3Z)-3-ethyl-5-methylhexa-1,3,5-trien-2-yl]methanimidamide
SMILESC=C(C)/C=C(/CC)C(=C)/N=C/N
InChIInChI=1S/C10H16N2/c1-5-10(6-8(2)3)9(4)12-7-11/h6-7H,2,4-5H2,1,3H3,(H2,11,12)/b10-6-
InChIKeyKXXCPPHNAIVKNN-POHAHGRESA-N
XLogP2.40
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.40
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'}

Analyze N'-[(3Z)-3-ethyl-5-methylhexa-1,3,5-trien-2-yl]methanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
N'-[(2E)-5,6,6-trimethylhepta-2,4-dien-3-yl]methanimidamide
CID 90684755
N'-[(1E,4Z,7E)-6-methylidene-7-[(Z)-prop-1-enyl]deca-1,4,7-trienyl]methanimidamide
CID 118616847
4-Methylidene-2-(methylideneamino)hex-2-en-1-amine
CID 123181635
N-[(3E)-2,6-dimethylhepta-1,3,5-trien-3-yl]-N'-methylmethanimidamide
CID 123434689
N-[(3E)-8-methylnona-1,3,7-trien-2-yl]-N'-pent-2-en-2-ylmethanimidamide
CID 123679921
N'-[(3E,5Z)-nona-3,5,7-trien-3-yl]methanimidamide
CID 123925467
N-methylidene-N'-(3-methylocta-1,3,5-trien-2-yl)methanimidamide
CID 123986247
N'-[(2Z,4Z)-6-cyano-3-ethyl-7,8-dimethylnona-2,4,6-trien-4-yl]methanimidamide
CID 123990513
N'-[(3Z)-5-methylhexa-1,3-dien-2-yl]methanimidamide
CID 124029099

Frequently Asked Questions

What is the IUPAC name of N'-[(3Z)-3-ethyl-5-methylhexa-1,3,5-trien-2-yl]methanimidamide?
The IUPAC name of N'-[(3Z)-3-ethyl-5-methylhexa-1,3,5-trien-2-yl]methanimidamide (CID 143256174) is N'-[(3Z)-3-ethyl-5-methylhexa-1,3,5-trien-2-yl]methanimidamide.
What is the SMILES notation for N'-[(3Z)-3-ethyl-5-methylhexa-1,3,5-trien-2-yl]methanimidamide?
The canonical SMILES for N'-[(3Z)-3-ethyl-5-methylhexa-1,3,5-trien-2-yl]methanimidamide is C=C(C)/C=C(/CC)C(=C)/N=C/N.
What is the InChIKey of N'-[(3Z)-3-ethyl-5-methylhexa-1,3,5-trien-2-yl]methanimidamide?
The InChIKey is KXXCPPHNAIVKNN-POHAHGRESA-N. The full InChI is InChI=1S/C10H16N2/c1-5-10(6-8(2)3)9(4)12-7-11/h6-7H,2,4-5H2,1,3H3,(H2,11,12)/b10-6-.
What are the key properties of N'-[(3Z)-3-ethyl-5-methylhexa-1,3,5-trien-2-yl]methanimidamide?
N'-[(3Z)-3-ethyl-5-methylhexa-1,3,5-trien-2-yl]methanimidamide has a molecular weight of 164.25 g/mol, XLogP of 2.40, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3Z)-3-ethyl-5-methylhexa-1,3,5-trien-2-yl]methanimidamide is sourced from PubChem (CID 143256174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).