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

C9H15LrN2- — CID 154679319

IUPAClawrencium;N'-[(3Z)-2-methylhepta-3,5-dien-3-yl]methanimidamide
SMILESC/[C-]=C\C=C(/N=C/N)C(C)C.[Lr]
InChIInChI=1S/C9H15N2.Lr/c1-4-5-6-9(8(2)3)11-7-10;/h5-8H,1-3H3,(H2,10,11);/q-1;/b9-6-;
InChIKeySVEYZCPBVVKVIZ-BORNJIKYSA-N
MW413.23 g/mol
LogP1.89
Rot. Bonds3

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

lawrencium;N'-[(3Z)-2-methylhepta-3,5-dien-3-yl]methanimidamide (PubChem CID 154679319) has the molecular formula C9H15LrN2- and a molecular weight of 413.23 g/mol. Its IUPAC name is lawrencium;N'-[(3Z)-2-methylhepta-3,5-dien-3-yl]methanimidamide.

Molecular Properties

Compound Namelawrencium;N'-[(3Z)-2-methylhepta-3,5-dien-3-yl]methanimidamide
PubChem CID154679319
Molecular FormulaC9H15LrN2-
Molecular Weight413.23 g/mol
Exact Mass413.23
IUPAC Namelawrencium;N'-[(3Z)-2-methylhepta-3,5-dien-3-yl]methanimidamide
SMILESC/[C-]=C\C=C(/N=C/N)C(C)C.[Lr]
InChIInChI=1S/C9H15N2.Lr/c1-4-5-6-9(8(2)3)11-7-10;/h5-8H,1-3H3,(H2,10,11);/q-1;/b9-6-;
InChIKeySVEYZCPBVVKVIZ-BORNJIKYSA-N
XLogP1.89
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.23
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'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

(Z)-3-methyl-2-(prop-2-enylideneamino)but-1-en-1-amine
CID 170195275
N'-[(Z)-1-amino-3-methylbut-1-en-2-yl]-2-methylpropanimidamide
CID 166933258
N-(aminomethylidene)-3-chloro-N'-propan-2-ylpropanimidamide
CID 123627875
(Z)-3-methyl-2-(prop-1-en-2-yliminomethyl)but-1-en-1-amine
CID 89384623
ethane;N'-prop-1-en-2-ylmethanimidamide
CID 164916577
(2Z)-2-(aminomethylidene)-N,3-dimethylbutanimidoyl cyanide
CID 153364034
2-methyl-N'-[(3Z,5Z)-2-methylhepta-3,5-dien-3-yl]propanimidamide
CID 167223912
N-(2-methylpropanehydrazonoyl)methanimidoyl iodide
CID 118596313
N'-[(2Z,4Z)-hexa-2,4-dien-2-yl]methanimidamide
CID 88952109
2,4-dimethyl-3-methyliminopent-1-en-1-amine
CID 174306198
N'-[(1E,3E,5Z)-1-chlorohepta-1,3,5-trien-4-yl]methanimidamide
CID 88578735
N'-(3-methoxyprop-1-en-2-yl)methanimidamide
CID 155723002

Frequently Asked Questions

What is the IUPAC name of lawrencium;N'-[(3Z)-2-methylhepta-3,5-dien-3-yl]methanimidamide?
The IUPAC name of lawrencium;N'-[(3Z)-2-methylhepta-3,5-dien-3-yl]methanimidamide (CID 154679319) is lawrencium;N'-[(3Z)-2-methylhepta-3,5-dien-3-yl]methanimidamide.
What is the SMILES notation for lawrencium;N'-[(3Z)-2-methylhepta-3,5-dien-3-yl]methanimidamide?
The canonical SMILES for lawrencium;N'-[(3Z)-2-methylhepta-3,5-dien-3-yl]methanimidamide is C/[C-]=C\C=C(/N=C/N)C(C)C.[Lr].
What is the InChIKey of lawrencium;N'-[(3Z)-2-methylhepta-3,5-dien-3-yl]methanimidamide?
The InChIKey is SVEYZCPBVVKVIZ-BORNJIKYSA-N. The full InChI is InChI=1S/C9H15N2.Lr/c1-4-5-6-9(8(2)3)11-7-10;/h5-8H,1-3H3,(H2,10,11);/q-1;/b9-6-;.
What are the key properties of lawrencium;N'-[(3Z)-2-methylhepta-3,5-dien-3-yl]methanimidamide?
lawrencium;N'-[(3Z)-2-methylhepta-3,5-dien-3-yl]methanimidamide has a molecular weight of 413.23 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lawrencium;N'-[(3Z)-2-methylhepta-3,5-dien-3-yl]methanimidamide is sourced from PubChem (CID 154679319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).