N-[(Z)-butylideneamino]methanimidamide

C5H11N3 — CID 176520318

IUPACN-[(Z)-butylideneamino]methanimidamide
SMILES[H]/N=C/N/N=C\CCC
InChIInChI=1S/C5H11N3/c1-2-3-4-7-8-5-6/h4-5H,2-3H2,1H3,(H2,6,8)/b7-4-
InChIKeyPQGNWJHLDMCKSJ-DAXSKMNVSA-N
MW113.16 g/mol
LogP0.97
Rot. Bonds4

About N-[(Z)-butylideneamino]methanimidamide

N-[(Z)-butylideneamino]methanimidamide (PubChem CID 176520318) has the molecular formula C5H11N3 and a molecular weight of 113.16 g/mol. Its IUPAC name is N-[(Z)-butylideneamino]methanimidamide.

Molecular Properties

Compound NameN-[(Z)-butylideneamino]methanimidamide
PubChem CID176520318
Molecular FormulaC5H11N3
Molecular Weight113.16 g/mol
Exact Mass113.10
IUPAC NameN-[(Z)-butylideneamino]methanimidamide
SMILES[H]/N=C/N/N=C\CCC
InChIInChI=1S/C5H11N3/c1-2-3-4-7-8-5-6/h4-5H,2-3H2,1H3,(H2,6,8)/b7-4-
InChIKeyPQGNWJHLDMCKSJ-DAXSKMNVSA-N
XLogP0.97
TPSA48.24 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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

CID 176520432
CID 176520432
N-[(Z)-butylideneamino]propan-1-amine
CID 5369173
N-[(Z)-butylideneamino]acetamide
CID 6015140
N-[(E)-butylideneamino]-3-methyliminopropan-1-amine
CID 134351173
N,N'-bis(butylideneamino)octanediamide
CID 5050764
N,N'-bis(butylideneamino)heptanediamide
CID 4260370
(Z)-butylidenehydrazine
CID 143347514
N-(butylideneamino)heptanamide
CID 4641242
N-pentylideneethanimidamide
CID 153377709
N'-butan-2-yl-N-methanimidoylmethanimidamide
CID 176516887
N-(butylideneamino)-5-fluorothiophene-2-carboxamide
CID 171133999
4-[ethyl-[(E)-pent-3-enyl]amino]-N'-methanimidamidopiperidine-1-carboximidamide
CID 176538011

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-butylideneamino]methanimidamide?
The IUPAC name of N-[(Z)-butylideneamino]methanimidamide (CID 176520318) is N-[(Z)-butylideneamino]methanimidamide.
What is the SMILES notation for N-[(Z)-butylideneamino]methanimidamide?
The canonical SMILES for N-[(Z)-butylideneamino]methanimidamide is [H]/N=C/N/N=C\CCC.
What is the InChIKey of N-[(Z)-butylideneamino]methanimidamide?
The InChIKey is PQGNWJHLDMCKSJ-DAXSKMNVSA-N. The full InChI is InChI=1S/C5H11N3/c1-2-3-4-7-8-5-6/h4-5H,2-3H2,1H3,(H2,6,8)/b7-4-.
What are the key properties of N-[(Z)-butylideneamino]methanimidamide?
N-[(Z)-butylideneamino]methanimidamide has a molecular weight of 113.16 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-butylideneamino]methanimidamide is sourced from PubChem (CID 176520318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).