2-methyl-1-[(E)-pent-3-enyl]guanidine

C7H15N3 — CID 115629301

IUPAC2-methyl-1-[(E)-pent-3-enyl]guanidine
SMILESC/C=C/CCN/C(N)=N/C
InChIInChI=1S/C7H15N3/c1-3-4-5-6-10-7(8)9-2/h3-4H,5-6H2,1-2H3,(H3,8,9,10)/b4-3+
InChIKeyPPCATGYIHRQUEN-ONEGZZNKSA-N
MW141.22 g/mol
LogP0.49
Rot. Bonds3

About 2-methyl-1-[(E)-pent-3-enyl]guanidine

2-methyl-1-[(E)-pent-3-enyl]guanidine (PubChem CID 115629301) has the molecular formula C7H15N3 and a molecular weight of 141.22 g/mol. Its IUPAC name is 2-methyl-1-[(E)-pent-3-enyl]guanidine.

Molecular Properties

Compound Name2-methyl-1-[(E)-pent-3-enyl]guanidine
PubChem CID115629301
Molecular FormulaC7H15N3
Molecular Weight141.22 g/mol
Exact Mass141.13
IUPAC Name2-methyl-1-[(E)-pent-3-enyl]guanidine
SMILESC/C=C/CCN/C(N)=N/C
InChIInChI=1S/C7H15N3/c1-3-4-5-6-10-7(8)9-2/h3-4H,5-6H2,1-2H3,(H3,8,9,10)/b4-3+
InChIKeyPPCATGYIHRQUEN-ONEGZZNKSA-N
XLogP0.49
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.22
LogP ≤ 50.49
H-Bond Donors ≤ 52
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

2-methyl-1-[(E)-pent-3-enyl]-3-(3,3,3-trifluoropropyl)guanidine
CID 111986501
1-ethyl-3-[(E)-pent-3-enyl]-2-(3,3,3-trifluoropropyl)guanidine
CID 111986505
N'-methyl-3,6-dihydro-2H-pyridine-1-carboximidamide
CID 89570433
1-[amino-[[(Z)-pent-2-enyl]amino]methyl]-2-methylguanidine
CID 90337090
2-Methyl-1-pent-4-en-2-ylguanidine
CID 115769278
1-But-3-enyl-2-methylguanidine
CID 116035410
N'-methyl-N-pent-3-enylmethanimidamide
CID 123321967
N'-(2-iminoethyl)-N-pent-3-enylmethanimidamide
CID 123617636
N'-methyl-N-[(Z)-pent-3-enyl]methanimidamide
CID 146539364
1-[(E)-7-(diaminomethylideneamino)hept-4-enyl]guanidine
CID 176535357
1-[7-(Diaminomethylideneamino)hept-4-enyl]guanidine
CID 176537412
1-Cyclopent-2-en-1-yl-2-methylguanidine
CID 54210721

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(E)-pent-3-enyl]guanidine?
The IUPAC name of 2-methyl-1-[(E)-pent-3-enyl]guanidine (CID 115629301) is 2-methyl-1-[(E)-pent-3-enyl]guanidine.
What is the SMILES notation for 2-methyl-1-[(E)-pent-3-enyl]guanidine?
The canonical SMILES for 2-methyl-1-[(E)-pent-3-enyl]guanidine is C/C=C/CCN/C(N)=N/C.
What is the InChIKey of 2-methyl-1-[(E)-pent-3-enyl]guanidine?
The InChIKey is PPCATGYIHRQUEN-ONEGZZNKSA-N. The full InChI is InChI=1S/C7H15N3/c1-3-4-5-6-10-7(8)9-2/h3-4H,5-6H2,1-2H3,(H3,8,9,10)/b4-3+.
What are the key properties of 2-methyl-1-[(E)-pent-3-enyl]guanidine?
2-methyl-1-[(E)-pent-3-enyl]guanidine has a molecular weight of 141.22 g/mol, XLogP of 0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(E)-pent-3-enyl]guanidine is sourced from PubChem (CID 115629301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).