N',2-dimethylpent-3-enimidamide

C7H14N2 — CID 135213830

IUPACN',2-dimethylpent-3-enimidamide
SMILESCC=CC(C)/C(N)=N/C
InChIInChI=1S/C7H14N2/c1-4-5-6(2)7(8)9-3/h4-6H,1-3H3,(H2,8,9)
InChIKeyJDFKLWYFHPGWBO-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.19
Rot. Bonds2

About N',2-dimethylpent-3-enimidamide

N',2-dimethylpent-3-enimidamide (PubChem CID 135213830) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is N',2-dimethylpent-3-enimidamide.

Molecular Properties

Compound NameN',2-dimethylpent-3-enimidamide
PubChem CID135213830
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC NameN',2-dimethylpent-3-enimidamide
SMILESCC=CC(C)/C(N)=N/C
InChIInChI=1S/C7H14N2/c1-4-5-6(2)7(8)9-3/h4-6H,1-3H3,(H2,8,9)
InChIKeyJDFKLWYFHPGWBO-UHFFFAOYSA-N
XLogP1.19
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.19
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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-Pyridinamine, 5,6-dihydro-5-methyl-
CID 45116662
2,5-Dihydropyridin-6-amine
CID 69687833
(3S)-3-methyl-2,3-dihydropyridin-6-amine
CID 93510524
(E)-N'-ethylpent-3-enimidamide
CID 118519265
(2Z)-N',4-dimethylhexa-2,5-dienimidamide
CID 123486543
N'-(2-methylbut-3-enyl)ethanimidamide
CID 123859645
N'-[(E)-hex-4-en-2-yl]-2-methylpropanimidamide
CID 134368296
2-Methylpent-3-enimidamide
CID 135213696
2-ethyl-N'-methylbut-3-enimidamide
CID 137428073
3,6-dihydro-2H-azepin-7-amine
CID 137428712
(Z)-N'-methylhex-4-enimidamide
CID 141766771
(Z)-N',3-dimethylpent-2-enimidamide
CID 142190096

Frequently Asked Questions

What is the IUPAC name of N',2-dimethylpent-3-enimidamide?
The IUPAC name of N',2-dimethylpent-3-enimidamide (CID 135213830) is N',2-dimethylpent-3-enimidamide.
What is the SMILES notation for N',2-dimethylpent-3-enimidamide?
The canonical SMILES for N',2-dimethylpent-3-enimidamide is CC=CC(C)/C(N)=N/C.
What is the InChIKey of N',2-dimethylpent-3-enimidamide?
The InChIKey is JDFKLWYFHPGWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c1-4-5-6(2)7(8)9-3/h4-6H,1-3H3,(H2,8,9).
What are the key properties of N',2-dimethylpent-3-enimidamide?
N',2-dimethylpent-3-enimidamide has a molecular weight of 126.20 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N',2-dimethylpent-3-enimidamide is sourced from PubChem (CID 135213830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).