N'-[(3Z)-2,2-dimethylhexa-3,5-dien-3-yl]methanimidamide

C9H16N2 — CID 88885628

IUPACN'-[(3Z)-2,2-dimethylhexa-3,5-dien-3-yl]methanimidamide
SMILESC=C/C=C(\N=C\N)C(C)(C)C
InChIInChI=1S/C9H16N2/c1-5-6-8(11-7-10)9(2,3)4/h5-7H,1H2,2-4H3,(H2,10,11)/b8-6-
InChIKeyRMVVOJJNWUCOQG-VURMDHGXSA-N
MW152.24 g/mol
LogP2.09
Rot. Bonds2

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

N'-[(3Z)-2,2-dimethylhexa-3,5-dien-3-yl]methanimidamide (PubChem CID 88885628) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is N'-[(3Z)-2,2-dimethylhexa-3,5-dien-3-yl]methanimidamide.

Molecular Properties

Compound NameN'-[(3Z)-2,2-dimethylhexa-3,5-dien-3-yl]methanimidamide
PubChem CID88885628
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC NameN'-[(3Z)-2,2-dimethylhexa-3,5-dien-3-yl]methanimidamide
SMILESC=C/C=C(\N=C\N)C(C)(C)C
InChIInChI=1S/C9H16N2/c1-5-6-8(11-7-10)9(2,3)4/h5-7H,1H2,2-4H3,(H2,10,11)/b8-6-
InChIKeyRMVVOJJNWUCOQG-VURMDHGXSA-N
XLogP2.09
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.09
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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Frequently Asked Questions

What is the IUPAC name of N'-[(3Z)-2,2-dimethylhexa-3,5-dien-3-yl]methanimidamide?
The IUPAC name of N'-[(3Z)-2,2-dimethylhexa-3,5-dien-3-yl]methanimidamide (CID 88885628) is N'-[(3Z)-2,2-dimethylhexa-3,5-dien-3-yl]methanimidamide.
What is the SMILES notation for N'-[(3Z)-2,2-dimethylhexa-3,5-dien-3-yl]methanimidamide?
The canonical SMILES for N'-[(3Z)-2,2-dimethylhexa-3,5-dien-3-yl]methanimidamide is C=C/C=C(\N=C\N)C(C)(C)C.
What is the InChIKey of N'-[(3Z)-2,2-dimethylhexa-3,5-dien-3-yl]methanimidamide?
The InChIKey is RMVVOJJNWUCOQG-VURMDHGXSA-N. The full InChI is InChI=1S/C9H16N2/c1-5-6-8(11-7-10)9(2,3)4/h5-7H,1H2,2-4H3,(H2,10,11)/b8-6-.
What are the key properties of N'-[(3Z)-2,2-dimethylhexa-3,5-dien-3-yl]methanimidamide?
N'-[(3Z)-2,2-dimethylhexa-3,5-dien-3-yl]methanimidamide has a molecular weight of 152.24 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3Z)-2,2-dimethylhexa-3,5-dien-3-yl]methanimidamide is sourced from PubChem (CID 88885628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).