N-amino-N',1-dimethylcyclopropane-1-carboximidamide

C6H13N3 — CID 130553676

IUPACN-amino-N',1-dimethylcyclopropane-1-carboximidamide
SMILESC/N=C(\NN)C1(C)CC1
InChIInChI=1S/C6H13N3/c1-6(3-4-6)5(8-2)9-7/h3-4,7H2,1-2H3,(H,8,9)
InChIKeyQSYMDNAKXHLQDS-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.28
Rot. Bonds1

About N-amino-N',1-dimethylcyclopropane-1-carboximidamide

N-amino-N',1-dimethylcyclopropane-1-carboximidamide (PubChem CID 130553676) has the molecular formula C6H13N3 and a molecular weight of 127.19 g/mol. Its IUPAC name is N-amino-N',1-dimethylcyclopropane-1-carboximidamide.

Molecular Properties

Compound NameN-amino-N',1-dimethylcyclopropane-1-carboximidamide
PubChem CID130553676
Molecular FormulaC6H13N3
Molecular Weight127.19 g/mol
Exact Mass127.11
IUPAC NameN-amino-N',1-dimethylcyclopropane-1-carboximidamide
SMILESC/N=C(\NN)C1(C)CC1
InChIInChI=1S/C6H13N3/c1-6(3-4-6)5(8-2)9-7/h3-4,7H2,1-2H3,(H,8,9)
InChIKeyQSYMDNAKXHLQDS-UHFFFAOYSA-N
XLogP0.28
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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',1-dimethylcyclopropane-1-carboximidamide?
The IUPAC name of N-amino-N',1-dimethylcyclopropane-1-carboximidamide (CID 130553676) is N-amino-N',1-dimethylcyclopropane-1-carboximidamide.
What is the SMILES notation for N-amino-N',1-dimethylcyclopropane-1-carboximidamide?
The canonical SMILES for N-amino-N',1-dimethylcyclopropane-1-carboximidamide is C/N=C(\NN)C1(C)CC1.
What is the InChIKey of N-amino-N',1-dimethylcyclopropane-1-carboximidamide?
The InChIKey is QSYMDNAKXHLQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3/c1-6(3-4-6)5(8-2)9-7/h3-4,7H2,1-2H3,(H,8,9).
What are the key properties of N-amino-N',1-dimethylcyclopropane-1-carboximidamide?
N-amino-N',1-dimethylcyclopropane-1-carboximidamide has a molecular weight of 127.19 g/mol, XLogP of 0.28, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N',1-dimethylcyclopropane-1-carboximidamide is sourced from PubChem (CID 130553676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).