(Z)-3-amino-N-(1-aminopentan-3-yl)-N'-methylprop-2-enimidamide

C9H20N4 — CID 177317069

IUPAC(Z)-3-amino-N-(1-aminopentan-3-yl)-N'-methylprop-2-enimidamide
SMILESCCC(CCN)NC(/C=C\N)=N\C
InChIInChI=1S/C9H20N4/c1-3-8(4-6-10)13-9(12-2)5-7-11/h5,7-8H,3-4,6,10-11H2,1-2H3,(H,12,13)/b7-5-
InChIKeyAIVXZLVYMSUQSH-ALCCZGGFSA-N
MW184.29 g/mol
LogP0.20
Rot. Bonds5

About (Z)-3-amino-N-(1-aminopentan-3-yl)-N'-methylprop-2-enimidamide

(Z)-3-amino-N-(1-aminopentan-3-yl)-N'-methylprop-2-enimidamide (PubChem CID 177317069) has the molecular formula C9H20N4 and a molecular weight of 184.29 g/mol. Its IUPAC name is (Z)-3-amino-N-(1-aminopentan-3-yl)-N'-methylprop-2-enimidamide.

Molecular Properties

Compound Name(Z)-3-amino-N-(1-aminopentan-3-yl)-N'-methylprop-2-enimidamide
PubChem CID177317069
Molecular FormulaC9H20N4
Molecular Weight184.29 g/mol
Exact Mass184.17
IUPAC Name(Z)-3-amino-N-(1-aminopentan-3-yl)-N'-methylprop-2-enimidamide
SMILESCCC(CCN)NC(/C=C\N)=N\C
InChIInChI=1S/C9H20N4/c1-3-8(4-6-10)13-9(12-2)5-7-11/h5,7-8H,3-4,6,10-11H2,1-2H3,(H,12,13)/b7-5-
InChIKeyAIVXZLVYMSUQSH-ALCCZGGFSA-N
XLogP0.20
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.29
LogP ≤ 50.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-amino-N-(1-aminopentan-3-yl)-N'-methylprop-2-enimidamide?
The IUPAC name of (Z)-3-amino-N-(1-aminopentan-3-yl)-N'-methylprop-2-enimidamide (CID 177317069) is (Z)-3-amino-N-(1-aminopentan-3-yl)-N'-methylprop-2-enimidamide.
What is the SMILES notation for (Z)-3-amino-N-(1-aminopentan-3-yl)-N'-methylprop-2-enimidamide?
The canonical SMILES for (Z)-3-amino-N-(1-aminopentan-3-yl)-N'-methylprop-2-enimidamide is CCC(CCN)NC(/C=C\N)=N\C.
What is the InChIKey of (Z)-3-amino-N-(1-aminopentan-3-yl)-N'-methylprop-2-enimidamide?
The InChIKey is AIVXZLVYMSUQSH-ALCCZGGFSA-N. The full InChI is InChI=1S/C9H20N4/c1-3-8(4-6-10)13-9(12-2)5-7-11/h5,7-8H,3-4,6,10-11H2,1-2H3,(H,12,13)/b7-5-.
What are the key properties of (Z)-3-amino-N-(1-aminopentan-3-yl)-N'-methylprop-2-enimidamide?
(Z)-3-amino-N-(1-aminopentan-3-yl)-N'-methylprop-2-enimidamide has a molecular weight of 184.29 g/mol, XLogP of 0.20, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-amino-N-(1-aminopentan-3-yl)-N'-methylprop-2-enimidamide is sourced from PubChem (CID 177317069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).