2-amino-1-(1-ethylpiperidin-4-yl)-1-methylguanidine

C9H21N5 — CID 77054011

IUPAC2-amino-1-(1-ethylpiperidin-4-yl)-1-methylguanidine
SMILESCCN1CCC(N(C)C(N)=NN)CC1
InChIInChI=1S/C9H21N5/c1-3-14-6-4-8(5-7-14)13(2)9(10)12-11/h8H,3-7,11H2,1-2H3,(H2,10,12)
InChIKeyOVOQLOSATAGOKP-UHFFFAOYSA-N
MW199.30 g/mol
LogP-0.41
Rot. Bonds2

About 2-amino-1-(1-ethylpiperidin-4-yl)-1-methylguanidine

2-amino-1-(1-ethylpiperidin-4-yl)-1-methylguanidine (PubChem CID 77054011) has the molecular formula C9H21N5 and a molecular weight of 199.30 g/mol. Its IUPAC name is 2-amino-1-(1-ethylpiperidin-4-yl)-1-methylguanidine.

Molecular Properties

Compound Name2-amino-1-(1-ethylpiperidin-4-yl)-1-methylguanidine
PubChem CID77054011
Molecular FormulaC9H21N5
Molecular Weight199.30 g/mol
Exact Mass199.18
IUPAC Name2-amino-1-(1-ethylpiperidin-4-yl)-1-methylguanidine
SMILESCCN1CCC(N(C)C(N)=NN)CC1
InChIInChI=1S/C9H21N5/c1-3-14-6-4-8(5-7-14)13(2)9(10)12-11/h8H,3-7,11H2,1-2H3,(H2,10,12)
InChIKeyOVOQLOSATAGOKP-UHFFFAOYSA-N
XLogP-0.41
TPSA70.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 5-0.41
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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Related Compounds

2-amino-1-(1-ethylpiperidin-4-yl)-1-methylguanidine
CID 64868594
2-ethyl-1-(1-ethylpiperidin-4-yl)-1-methylguanidine
CID 62361922
2-tert-butyl-1-(1-ethylpiperidin-4-yl)-1-methylguanidine
CID 62362142
2-amino-1-cyclopropyl-1-methylguanidine;hydroiodide
CID 87258181
1-cyclopropyl-2-[2-(4-ethylpiperazin-1-yl)ethyl]-1-methylguanidine
CID 110030051
N-(1-ethylpiperidin-4-yl)-N-methylpropanamide
CID 60724468
(2R)-2-amino-N-(1-ethylpiperidin-4-yl)-N-methylpropanamide;dihydrochloride
CID 119841949
4-(aminomethyl)-N-(1-ethylpiperidin-4-yl)-N-methylcyclohexane-1-carboxamide
CID 62808188
1-carbamothioyl-N-(1-ethylpiperidin-4-yl)-N,3-dimethylcyclobutane-1-carboxamide
CID 80588964
N-(1-ethylpiperidin-4-yl)-4-hydroxy-N-methylpentanamide
CID 79192601
2,2,2-trifluoroethyl N-(1-ethylpiperidin-4-yl)-N-methylcarbamate
CID 65173697
ethane;N'-(1-ethylpiperidin-4-yl)-N'-methylmethanediamine
CID 142615692

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(1-ethylpiperidin-4-yl)-1-methylguanidine?
The IUPAC name of 2-amino-1-(1-ethylpiperidin-4-yl)-1-methylguanidine (CID 77054011) is 2-amino-1-(1-ethylpiperidin-4-yl)-1-methylguanidine.
What is the SMILES notation for 2-amino-1-(1-ethylpiperidin-4-yl)-1-methylguanidine?
The canonical SMILES for 2-amino-1-(1-ethylpiperidin-4-yl)-1-methylguanidine is CCN1CCC(N(C)C(N)=NN)CC1.
What is the InChIKey of 2-amino-1-(1-ethylpiperidin-4-yl)-1-methylguanidine?
The InChIKey is OVOQLOSATAGOKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N5/c1-3-14-6-4-8(5-7-14)13(2)9(10)12-11/h8H,3-7,11H2,1-2H3,(H2,10,12).
What are the key properties of 2-amino-1-(1-ethylpiperidin-4-yl)-1-methylguanidine?
2-amino-1-(1-ethylpiperidin-4-yl)-1-methylguanidine has a molecular weight of 199.30 g/mol, XLogP of -0.41, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(1-ethylpiperidin-4-yl)-1-methylguanidine is sourced from PubChem (CID 77054011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).