N'-(3-methylbut-1-en-2-yl)-N-(3-methylpent-1-en-2-yl)methanimidamide

C12H22N2 — CID 177161884

IUPACN'-(3-methylbut-1-en-2-yl)-N-(3-methylpent-1-en-2-yl)methanimidamide
SMILESC=C(/N=C/NC(=C)C(C)CC)C(C)C
InChIInChI=1S/C12H22N2/c1-7-10(4)12(6)14-8-13-11(5)9(2)3/h8-10H,5-7H2,1-4H3,(H,13,14)
InChIKeyGGYVRFMOUWRTEZ-UHFFFAOYSA-N
MW194.32 g/mol
LogP3.33
Rot. Bonds6

About N'-(3-methylbut-1-en-2-yl)-N-(3-methylpent-1-en-2-yl)methanimidamide

N'-(3-methylbut-1-en-2-yl)-N-(3-methylpent-1-en-2-yl)methanimidamide (PubChem CID 177161884) has the molecular formula C12H22N2 and a molecular weight of 194.32 g/mol. Its IUPAC name is N'-(3-methylbut-1-en-2-yl)-N-(3-methylpent-1-en-2-yl)methanimidamide.

Molecular Properties

Compound NameN'-(3-methylbut-1-en-2-yl)-N-(3-methylpent-1-en-2-yl)methanimidamide
PubChem CID177161884
Molecular FormulaC12H22N2
Molecular Weight194.32 g/mol
Exact Mass194.18
IUPAC NameN'-(3-methylbut-1-en-2-yl)-N-(3-methylpent-1-en-2-yl)methanimidamide
SMILESC=C(/N=C/NC(=C)C(C)CC)C(C)C
InChIInChI=1S/C12H22N2/c1-7-10(4)12(6)14-8-13-11(5)9(2)3/h8-10H,5-7H2,1-4H3,(H,13,14)
InChIKeyGGYVRFMOUWRTEZ-UHFFFAOYSA-N
XLogP3.33
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 53.33
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'}

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Related Compounds

5-(2,2-dimethylpropyl)-1H-imidazole-1,3-diium
CID 58443705
5-tert-butyl-6-methylidene-4,5-dihydro-1H-pyrimidine
CID 58468581
N'-methyl-N-(3-methylbut-1-en-2-yl)methanimidamide
CID 89281937
N'-(2-ethenylhex-5-enyl)-N-prop-1-en-2-ylmethanimidamide
CID 123759223
N-but-1-en-2-yl-N'-methylmethanimidamide
CID 132036532
N'-methyl-N-[(Z)-4-methylpent-2-en-3-yl]methanimidamide
CID 138546853
N'-methyl-N-[(Z)-5-methylhex-2-en-2-yl]methanimidamide
CID 142928332
N'-methyl-N-[5-(methylamino)pent-1-en-2-yl]methanimidamide
CID 143220525
N'-methyl-N-pent-1-en-2-ylmethanimidamide
CID 163803757
N-[5-(dimethylamino)pent-1-en-2-yl]-N'-methylmethanimidamide
CID 166987883
N'-methyl-N-[(3R)-3-methylpent-1-en-2-yl]ethanimidamide
CID 174244901
N'-tert-butyl-N-(3-methylbut-1-en-2-yl)methanimidamide
CID 174332901

Frequently Asked Questions

What is the IUPAC name of N'-(3-methylbut-1-en-2-yl)-N-(3-methylpent-1-en-2-yl)methanimidamide?
The IUPAC name of N'-(3-methylbut-1-en-2-yl)-N-(3-methylpent-1-en-2-yl)methanimidamide (CID 177161884) is N'-(3-methylbut-1-en-2-yl)-N-(3-methylpent-1-en-2-yl)methanimidamide.
What is the SMILES notation for N'-(3-methylbut-1-en-2-yl)-N-(3-methylpent-1-en-2-yl)methanimidamide?
The canonical SMILES for N'-(3-methylbut-1-en-2-yl)-N-(3-methylpent-1-en-2-yl)methanimidamide is C=C(/N=C/NC(=C)C(C)CC)C(C)C.
What is the InChIKey of N'-(3-methylbut-1-en-2-yl)-N-(3-methylpent-1-en-2-yl)methanimidamide?
The InChIKey is GGYVRFMOUWRTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2/c1-7-10(4)12(6)14-8-13-11(5)9(2)3/h8-10H,5-7H2,1-4H3,(H,13,14).
What are the key properties of N'-(3-methylbut-1-en-2-yl)-N-(3-methylpent-1-en-2-yl)methanimidamide?
N'-(3-methylbut-1-en-2-yl)-N-(3-methylpent-1-en-2-yl)methanimidamide has a molecular weight of 194.32 g/mol, XLogP of 3.33, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-methylbut-1-en-2-yl)-N-(3-methylpent-1-en-2-yl)methanimidamide is sourced from PubChem (CID 177161884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).