N'-methyl-N-pent-3-enylmethanimidamide

C7H14N2 — CID 123321967

IUPACN'-methyl-N-pent-3-enylmethanimidamide
SMILESCC=CCCN/C=N/C
InChIInChI=1S/C7H14N2/c1-3-4-5-6-9-7-8-2/h3-4,7H,5-6H2,1-2H3,(H,8,9)
InChIKeyHYMHZBDWKATDPP-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.20
Rot. Bonds4

About N'-methyl-N-pent-3-enylmethanimidamide

N'-methyl-N-pent-3-enylmethanimidamide (PubChem CID 123321967) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is N'-methyl-N-pent-3-enylmethanimidamide.

Molecular Properties

Compound NameN'-methyl-N-pent-3-enylmethanimidamide
PubChem CID123321967
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC NameN'-methyl-N-pent-3-enylmethanimidamide
SMILESCC=CCCN/C=N/C
InChIInChI=1S/C7H14N2/c1-3-4-5-6-9-7-8-2/h3-4,7H,5-6H2,1-2H3,(H,8,9)
InChIKeyHYMHZBDWKATDPP-UHFFFAOYSA-N
XLogP1.20
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

6-Ethyl-1,4-dihydropyrimidine
CID 19748726
1-But-3-enyl-2-methylguanidine
CID 116035410
N-[(E)-pent-3-en-2-yl]-N'-propylmethanimidamide
CID 121451366
N-but-2-enyl-N'-methylmethanimidamide
CID 123160782
N'-ethyl-N-pent-3-en-2-ylmethanimidamide
CID 123174710
8-Methyl-1,6-dihydro-1,3-diazocin-7-amine
CID 123202821
(4Z)-8-methyl-1,6-dihydro-1,3-diazocine
CID 123208459
6-Ethyl-1,4-dihydropyrimidin-4-amine
CID 123387802
N'-(2-iminoethyl)-N-pent-3-enylmethanimidamide
CID 123617636
N'-but-2-enyl-N-ethylmethanimidamide
CID 123918257
N-[2-(aminomethyl)but-3-enyl]-N'-methylmethanimidamide
CID 130349863
N'-but-3-enyl-N-ethylmethanimidamide
CID 137391848

Frequently Asked Questions

What is the IUPAC name of N'-methyl-N-pent-3-enylmethanimidamide?
The IUPAC name of N'-methyl-N-pent-3-enylmethanimidamide (CID 123321967) is N'-methyl-N-pent-3-enylmethanimidamide.
What is the SMILES notation for N'-methyl-N-pent-3-enylmethanimidamide?
The canonical SMILES for N'-methyl-N-pent-3-enylmethanimidamide is CC=CCCN/C=N/C.
What is the InChIKey of N'-methyl-N-pent-3-enylmethanimidamide?
The InChIKey is HYMHZBDWKATDPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c1-3-4-5-6-9-7-8-2/h3-4,7H,5-6H2,1-2H3,(H,8,9).
What are the key properties of N'-methyl-N-pent-3-enylmethanimidamide?
N'-methyl-N-pent-3-enylmethanimidamide has a molecular weight of 126.20 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-pent-3-enylmethanimidamide is sourced from PubChem (CID 123321967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).