1-(methylamino)-2-propylguanidine

C5H14N4 — CID 123959912

IUPAC1-(methylamino)-2-propylguanidine
SMILESCCC/N=C(\N)NNC
InChIInChI=1S/C5H14N4/c1-3-4-8-5(6)9-7-2/h7H,3-4H2,1-2H3,(H3,6,8,9)
InChIKeyCQOKSPWLHXPZJN-UHFFFAOYSA-N
MW130.19 g/mol
LogP-0.56
Rot. Bonds3

About 1-(methylamino)-2-propylguanidine

1-(methylamino)-2-propylguanidine (PubChem CID 123959912) has the molecular formula C5H14N4 and a molecular weight of 130.19 g/mol. Its IUPAC name is 1-(methylamino)-2-propylguanidine.

Molecular Properties

Compound Name1-(methylamino)-2-propylguanidine
PubChem CID123959912
Molecular FormulaC5H14N4
Molecular Weight130.19 g/mol
Exact Mass130.12
IUPAC Name1-(methylamino)-2-propylguanidine
SMILESCCC/N=C(\N)NNC
InChIInChI=1S/C5H14N4/c1-3-4-8-5(6)9-7-2/h7H,3-4H2,1-2H3,(H3,6,8,9)
InChIKeyCQOKSPWLHXPZJN-UHFFFAOYSA-N
XLogP-0.56
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.19
LogP ≤ 5-0.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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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Related Compounds

N-ethylhydrazinecarboximidamide
CID 12216463
n-Amino-n'-pentylguanidine
CID 9793817
1-Amino-2-(3-fluoropropyl)guanidine
CID 89020440
1-Amino-2-butylguanidine
CID 12228579
2-Ethyl-1-(methylamino)guanidine
CID 12523003
1-Amino-2-butylguanidine;hydrochloride
CID 18949986
1-Amino-2-propylguanidine
CID 18960704
1-Amino-3-butylguanidinehydroiodide
CID 20536312
1,3-Diamino-2-ethylguanidine
CID 20684867
1-Amino-2-ethylguanidine;dihydrochloride
CID 22395295
1-Amino-2-(2-aminoethyl)guanidine
CID 53664014
1-Amino-2-propan-2-ylguanidine
CID 55281875

Frequently Asked Questions

What is the IUPAC name of 1-(methylamino)-2-propylguanidine?
The IUPAC name of 1-(methylamino)-2-propylguanidine (CID 123959912) is 1-(methylamino)-2-propylguanidine.
What is the SMILES notation for 1-(methylamino)-2-propylguanidine?
The canonical SMILES for 1-(methylamino)-2-propylguanidine is CCC/N=C(\N)NNC.
What is the InChIKey of 1-(methylamino)-2-propylguanidine?
The InChIKey is CQOKSPWLHXPZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N4/c1-3-4-8-5(6)9-7-2/h7H,3-4H2,1-2H3,(H3,6,8,9).
What are the key properties of 1-(methylamino)-2-propylguanidine?
1-(methylamino)-2-propylguanidine has a molecular weight of 130.19 g/mol, XLogP of -0.56, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(methylamino)-2-propylguanidine is sourced from PubChem (CID 123959912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).