N-amino-N-methyl-N'-(methylamino)-1-propan-2-ylcyclopropane-1-carboximidamide

C9H20N4 — CID 163589445

IUPACN-amino-N-methyl-N'-(methylamino)-1-propan-2-ylcyclopropane-1-carboximidamide
SMILESCNN=C(N(C)N)C1(C(C)C)CC1
InChIInChI=1S/C9H20N4/c1-7(2)9(5-6-9)8(12-11-3)13(4)10/h7,11H,5-6,10H2,1-4H3
InChIKeyGOGVMRVVSXPLNU-UHFFFAOYSA-N
MW184.29 g/mol
LogP0.76
Rot. Bonds3

About N-amino-N-methyl-N'-(methylamino)-1-propan-2-ylcyclopropane-1-carboximidamide

N-amino-N-methyl-N'-(methylamino)-1-propan-2-ylcyclopropane-1-carboximidamide (PubChem CID 163589445) has the molecular formula C9H20N4 and a molecular weight of 184.29 g/mol. Its IUPAC name is N-amino-N-methyl-N'-(methylamino)-1-propan-2-ylcyclopropane-1-carboximidamide.

Molecular Properties

Compound NameN-amino-N-methyl-N'-(methylamino)-1-propan-2-ylcyclopropane-1-carboximidamide
PubChem CID163589445
Molecular FormulaC9H20N4
Molecular Weight184.29 g/mol
Exact Mass184.17
IUPAC NameN-amino-N-methyl-N'-(methylamino)-1-propan-2-ylcyclopropane-1-carboximidamide
SMILESCNN=C(N(C)N)C1(C(C)C)CC1
InChIInChI=1S/C9H20N4/c1-7(2)9(5-6-9)8(12-11-3)13(4)10/h7,11H,5-6,10H2,1-4H3
InChIKeyGOGVMRVVSXPLNU-UHFFFAOYSA-N
XLogP0.76
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.29
LogP ≤ 50.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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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Frequently Asked Questions

What is the IUPAC name of N-amino-N-methyl-N'-(methylamino)-1-propan-2-ylcyclopropane-1-carboximidamide?
The IUPAC name of N-amino-N-methyl-N'-(methylamino)-1-propan-2-ylcyclopropane-1-carboximidamide (CID 163589445) is N-amino-N-methyl-N'-(methylamino)-1-propan-2-ylcyclopropane-1-carboximidamide.
What is the SMILES notation for N-amino-N-methyl-N'-(methylamino)-1-propan-2-ylcyclopropane-1-carboximidamide?
The canonical SMILES for N-amino-N-methyl-N'-(methylamino)-1-propan-2-ylcyclopropane-1-carboximidamide is CNN=C(N(C)N)C1(C(C)C)CC1.
What is the InChIKey of N-amino-N-methyl-N'-(methylamino)-1-propan-2-ylcyclopropane-1-carboximidamide?
The InChIKey is GOGVMRVVSXPLNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N4/c1-7(2)9(5-6-9)8(12-11-3)13(4)10/h7,11H,5-6,10H2,1-4H3.
What are the key properties of N-amino-N-methyl-N'-(methylamino)-1-propan-2-ylcyclopropane-1-carboximidamide?
N-amino-N-methyl-N'-(methylamino)-1-propan-2-ylcyclopropane-1-carboximidamide has a molecular weight of 184.29 g/mol, XLogP of 0.76, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N-methyl-N'-(methylamino)-1-propan-2-ylcyclopropane-1-carboximidamide is sourced from PubChem (CID 163589445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).