1-[(Z)-but-1-enyl]-2-methylguanidine

C6H13N3 — CID 142956866

IUPAC1-[(Z)-but-1-enyl]-2-methylguanidine
SMILESCC/C=C\N/C(N)=N/C
InChIInChI=1S/C6H13N3/c1-3-4-5-9-6(7)8-2/h4-5H,3H2,1-2H3,(H3,7,8,9)/b5-4-
InChIKeyCLDDMDUZQGKQAV-PLNGDYQASA-N
MW127.19 g/mol
LogP0.44
Rot. Bonds2

About 1-[(Z)-but-1-enyl]-2-methylguanidine

1-[(Z)-but-1-enyl]-2-methylguanidine (PubChem CID 142956866) has the molecular formula C6H13N3 and a molecular weight of 127.19 g/mol. Its IUPAC name is 1-[(Z)-but-1-enyl]-2-methylguanidine.

Molecular Properties

Compound Name1-[(Z)-but-1-enyl]-2-methylguanidine
PubChem CID142956866
Molecular FormulaC6H13N3
Molecular Weight127.19 g/mol
Exact Mass127.11
IUPAC Name1-[(Z)-but-1-enyl]-2-methylguanidine
SMILESCC/C=C\N/C(N)=N/C
InChIInChI=1S/C6H13N3/c1-3-4-5-9-6(7)8-2/h4-5H,3H2,1-2H3,(H3,7,8,9)/b5-4-
InChIKeyCLDDMDUZQGKQAV-PLNGDYQASA-N
XLogP0.44
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.44
H-Bond Donors ≤ 52
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

1-[amino-[[(Z)-pent-2-enyl]amino]methyl]-2-methylguanidine
CID 90337090
2-methyl-1-sulfanylguanidine
CID 142184997
1-[(E)-but-1-enyl]-3-ethylurea
CID 108910652
1-(3-ethylpentan-3-yl)-2-methylguanidine
CID 65042338
1-(hydroxymethyl)-2-methylguanidine
CID 134159651
3-[(E)-but-1-enyl]-1,1-dipropylurea
CID 108910720
2-methyl-1-[(E)-pentylideneamino]guanidine
CID 126544495
(Z)-N-(methylideneamino)but-1-en-1-amine
CID 146936286
carbamic acid;(Z)-hex-3-ene
CID 158256779
carbamic acid;hex-3-ene
CID 175321124
1,2-dimethylguanidine;methanamine
CID 159210195
ethane;(4Z)-N-methylhepta-1,4-dien-3-imine
CID 144693446

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-but-1-enyl]-2-methylguanidine?
The IUPAC name of 1-[(Z)-but-1-enyl]-2-methylguanidine (CID 142956866) is 1-[(Z)-but-1-enyl]-2-methylguanidine.
What is the SMILES notation for 1-[(Z)-but-1-enyl]-2-methylguanidine?
The canonical SMILES for 1-[(Z)-but-1-enyl]-2-methylguanidine is CC/C=C\N/C(N)=N/C.
What is the InChIKey of 1-[(Z)-but-1-enyl]-2-methylguanidine?
The InChIKey is CLDDMDUZQGKQAV-PLNGDYQASA-N. The full InChI is InChI=1S/C6H13N3/c1-3-4-5-9-6(7)8-2/h4-5H,3H2,1-2H3,(H3,7,8,9)/b5-4-.
What are the key properties of 1-[(Z)-but-1-enyl]-2-methylguanidine?
1-[(Z)-but-1-enyl]-2-methylguanidine has a molecular weight of 127.19 g/mol, XLogP of 0.44, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-but-1-enyl]-2-methylguanidine is sourced from PubChem (CID 142956866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).