2-methyl-1-[(E)-pentylideneamino]guanidine

C7H16N4 — CID 126544495

IUPAC2-methyl-1-[(E)-pentylideneamino]guanidine
SMILESCCCC/C=N/N/C(N)=N/C
InChIInChI=1S/C7H16N4/c1-3-4-5-6-10-11-7(8)9-2/h6H,3-5H2,1-2H3,(H3,8,9,11)/b10-6+
InChIKeyZKZCXDYTPVIQJT-UXBLZVDNSA-N
MW156.23 g/mol
LogP0.70
Rot. Bonds4

About 2-methyl-1-[(E)-pentylideneamino]guanidine

2-methyl-1-[(E)-pentylideneamino]guanidine (PubChem CID 126544495) has the molecular formula C7H16N4 and a molecular weight of 156.23 g/mol. Its IUPAC name is 2-methyl-1-[(E)-pentylideneamino]guanidine.

Molecular Properties

Compound Name2-methyl-1-[(E)-pentylideneamino]guanidine
PubChem CID126544495
Molecular FormulaC7H16N4
Molecular Weight156.23 g/mol
Exact Mass156.14
IUPAC Name2-methyl-1-[(E)-pentylideneamino]guanidine
SMILESCCCC/C=N/N/C(N)=N/C
InChIInChI=1S/C7H16N4/c1-3-4-5-6-10-11-7(8)9-2/h6H,3-5H2,1-2H3,(H3,8,9,11)/b10-6+
InChIKeyZKZCXDYTPVIQJT-UXBLZVDNSA-N
XLogP0.70
TPSA62.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.23
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-pentylideneamino]cyclohexanecarboxamide
CID 171400506
N-(dodecylideneamino)hydroxylamine
CID 91556209
N-(nonylideneamino)decanamide
CID 5084396
methyl N-(hexylideneamino)carbamate
CID 139895363
N-(nonylideneamino)octanamide
CID 4295690
1-butyl-2-methylguanidine;propane
CID 163254942
2-hydroxy-N-(pentylideneamino)benzamide
CID 3686688
1-(3-butoxypropyl)-2-methylguanidine
CID 23103881
N-(butylideneamino)heptanamide
CID 4641242
N,N'-bis(butylideneamino)heptanediamide
CID 4260370
N,N'-bis(butylideneamino)octanediamide
CID 5050764
N-[(Z)-butylideneamino]acetamide
CID 6015140

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(E)-pentylideneamino]guanidine?
The IUPAC name of 2-methyl-1-[(E)-pentylideneamino]guanidine (CID 126544495) is 2-methyl-1-[(E)-pentylideneamino]guanidine.
What is the SMILES notation for 2-methyl-1-[(E)-pentylideneamino]guanidine?
The canonical SMILES for 2-methyl-1-[(E)-pentylideneamino]guanidine is CCCC/C=N/N/C(N)=N/C.
What is the InChIKey of 2-methyl-1-[(E)-pentylideneamino]guanidine?
The InChIKey is ZKZCXDYTPVIQJT-UXBLZVDNSA-N. The full InChI is InChI=1S/C7H16N4/c1-3-4-5-6-10-11-7(8)9-2/h6H,3-5H2,1-2H3,(H3,8,9,11)/b10-6+.
What are the key properties of 2-methyl-1-[(E)-pentylideneamino]guanidine?
2-methyl-1-[(E)-pentylideneamino]guanidine has a molecular weight of 156.23 g/mol, XLogP of 0.70, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(E)-pentylideneamino]guanidine is sourced from PubChem (CID 126544495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).