(Z)-3-amino-N-propan-2-yl-N'-propylprop-2-enimidamide

C9H19N3 — CID 137400412

IUPAC(Z)-3-amino-N-propan-2-yl-N'-propylprop-2-enimidamide
SMILESCCC/N=C(/C=C\N)NC(C)C
InChIInChI=1S/C9H19N3/c1-4-7-11-9(5-6-10)12-8(2)3/h5-6,8H,4,7,10H2,1-3H3,(H,11,12)/b6-5-
InChIKeySZNCGBQVODUMAX-WAYWQWQTSA-N
MW169.27 g/mol
LogP1.27
Rot. Bonds4

About (Z)-3-amino-N-propan-2-yl-N'-propylprop-2-enimidamide

(Z)-3-amino-N-propan-2-yl-N'-propylprop-2-enimidamide (PubChem CID 137400412) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is (Z)-3-amino-N-propan-2-yl-N'-propylprop-2-enimidamide.

Molecular Properties

Compound Name(Z)-3-amino-N-propan-2-yl-N'-propylprop-2-enimidamide
PubChem CID137400412
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC Name(Z)-3-amino-N-propan-2-yl-N'-propylprop-2-enimidamide
SMILESCCC/N=C(/C=C\N)NC(C)C
InChIInChI=1S/C9H19N3/c1-4-7-11-9(5-6-10)12-8(2)3/h5-6,8H,4,7,10H2,1-3H3,(H,11,12)/b6-5-
InChIKeySZNCGBQVODUMAX-WAYWQWQTSA-N
XLogP1.27
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.27
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'}

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Related Compounds

1,2-di(propan-2-yl)-3-(N'-propylcarbamimidoyl)guanidine;perchloric acid
CID 71530090
1-(4-hydroxybutan-2-yl)-2-propylguanidine
CID 83177933
2-nonyl-1-propan-2-ylguanidine
CID 111034727
N-propylpent-3-en-2-imine
CID 123895305
1-but-3-yn-2-yl-2-propylguanidine
CID 114393547
1-(1-cyclohexylethyl)-2-propylguanidine
CID 62406352
1-propan-2-yl-2-(1-sulfanylpropyl)guanidine
CID 21150356
2-methylpropyl N,N'-dipropylcarbamimidate
CID 139525993
N-ethyl-N-methyl-2-[(N'-propylcarbamimidoyl)amino]propanamide
CID 103111146
1-amino-3-heptan-2-yl-2-propylguanidine
CID 104885589
1-amino-2-(1-methylsulfanylbutan-2-yl)-3-propan-2-ylguanidine
CID 104889084
N'-ethyl-N-propan-2-ylethanimidamide
CID 21064634

Frequently Asked Questions

What is the IUPAC name of (Z)-3-amino-N-propan-2-yl-N'-propylprop-2-enimidamide?
The IUPAC name of (Z)-3-amino-N-propan-2-yl-N'-propylprop-2-enimidamide (CID 137400412) is (Z)-3-amino-N-propan-2-yl-N'-propylprop-2-enimidamide.
What is the SMILES notation for (Z)-3-amino-N-propan-2-yl-N'-propylprop-2-enimidamide?
The canonical SMILES for (Z)-3-amino-N-propan-2-yl-N'-propylprop-2-enimidamide is CCC/N=C(/C=C\N)NC(C)C.
What is the InChIKey of (Z)-3-amino-N-propan-2-yl-N'-propylprop-2-enimidamide?
The InChIKey is SZNCGBQVODUMAX-WAYWQWQTSA-N. The full InChI is InChI=1S/C9H19N3/c1-4-7-11-9(5-6-10)12-8(2)3/h5-6,8H,4,7,10H2,1-3H3,(H,11,12)/b6-5-.
What are the key properties of (Z)-3-amino-N-propan-2-yl-N'-propylprop-2-enimidamide?
(Z)-3-amino-N-propan-2-yl-N'-propylprop-2-enimidamide has a molecular weight of 169.27 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-amino-N-propan-2-yl-N'-propylprop-2-enimidamide is sourced from PubChem (CID 137400412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).