(Z)-3-(butylamino)but-2-enimidamide

C8H17N3 — CID 146481635

IUPAC(Z)-3-(butylamino)but-2-enimidamide
SMILES[H]/N=C(N)/C=C(/C)NCCCC
InChIInChI=1S/C8H17N3/c1-3-4-5-11-7(2)6-8(9)10/h6,11H,3-5H2,1-2H3,(H3,9,10)/b7-6-
InChIKeyRYCGPINRJRYHOT-SREVYHEPSA-N
MW155.25 g/mol
LogP1.22
Rot. Bonds5

About (Z)-3-(butylamino)but-2-enimidamide

(Z)-3-(butylamino)but-2-enimidamide (PubChem CID 146481635) has the molecular formula C8H17N3 and a molecular weight of 155.25 g/mol. Its IUPAC name is (Z)-3-(butylamino)but-2-enimidamide.

Molecular Properties

Compound Name(Z)-3-(butylamino)but-2-enimidamide
PubChem CID146481635
Molecular FormulaC8H17N3
Molecular Weight155.25 g/mol
Exact Mass155.14
IUPAC Name(Z)-3-(butylamino)but-2-enimidamide
SMILES[H]/N=C(N)/C=C(/C)NCCCC
InChIInChI=1S/C8H17N3/c1-3-4-5-11-7(2)6-8(9)10/h6,11H,3-5H2,1-2H3,(H3,9,10)/b7-6-
InChIKeyRYCGPINRJRYHOT-SREVYHEPSA-N
XLogP1.22
TPSA61.90 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.25
LogP ≤ 51.22
H-Bond Donors ≤ 53
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'}

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Related Compounds

(Z)-3-(2-fluoropropylamino)but-2-enimidamide
CID 146481550
1-butyl-3-carbamimidoyl-2-methylguanidine
CID 176533702
(3Z)-4-N-butyl-2-N,2-N-diethylpenta-1,3-diene-2,4-diamine
CID 144572732
O-carbamimidoyl N-butylcarbamothioate
CID 87476205
2-(butylamino)ethanimidamide
CID 126615338
N-[(Z)-1-hydrazinylbut-1-en-2-yl]pentan-1-amine
CID 144944962
1-butyl-2-methylguanidine;propane
CID 163254942
ethyl (E)-3-[3-[[(E)-4-ethoxy-4-oxobut-2-en-2-yl]amino]propylamino]but-2-enoate
CID 5291465
N-hexyl-4-iminopent-2-enamide
CID 123662070
3-iminoheptanimidamide
CID 158715697
(E)-3-(dimethylamino)but-2-enimidamide
CID 143341120
(Z)-4-amino-4-imino-2-(propan-2-ylamino)-N-[2-(propylamino)ethyl]but-2-enamide
CID 145336739

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(butylamino)but-2-enimidamide?
The IUPAC name of (Z)-3-(butylamino)but-2-enimidamide (CID 146481635) is (Z)-3-(butylamino)but-2-enimidamide.
What is the SMILES notation for (Z)-3-(butylamino)but-2-enimidamide?
The canonical SMILES for (Z)-3-(butylamino)but-2-enimidamide is [H]/N=C(N)/C=C(/C)NCCCC.
What is the InChIKey of (Z)-3-(butylamino)but-2-enimidamide?
The InChIKey is RYCGPINRJRYHOT-SREVYHEPSA-N. The full InChI is InChI=1S/C8H17N3/c1-3-4-5-11-7(2)6-8(9)10/h6,11H,3-5H2,1-2H3,(H3,9,10)/b7-6-.
What are the key properties of (Z)-3-(butylamino)but-2-enimidamide?
(Z)-3-(butylamino)but-2-enimidamide has a molecular weight of 155.25 g/mol, XLogP of 1.22, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(butylamino)but-2-enimidamide is sourced from PubChem (CID 146481635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).