1-amino-3-(1,2-dimethylpiperidin-4-yl)-2-ethylguanidine

C10H23N5 — CID 104887817

IUPAC1-amino-3-(1,2-dimethylpiperidin-4-yl)-2-ethylguanidine
SMILESCC/N=C(\NN)NC1CCN(C)C(C)C1
InChIInChI=1S/C10H23N5/c1-4-12-10(14-11)13-9-5-6-15(3)8(2)7-9/h8-9H,4-7,11H2,1-3H3,(H2,12,13,14)
InChIKeyFPRSJLAVRHAIGD-UHFFFAOYSA-N
MW213.33 g/mol
LogP-0.10
Rot. Bonds2

About 1-amino-3-(1,2-dimethylpiperidin-4-yl)-2-ethylguanidine

1-amino-3-(1,2-dimethylpiperidin-4-yl)-2-ethylguanidine (PubChem CID 104887817) has the molecular formula C10H23N5 and a molecular weight of 213.33 g/mol. Its IUPAC name is 1-amino-3-(1,2-dimethylpiperidin-4-yl)-2-ethylguanidine.

Molecular Properties

Compound Name1-amino-3-(1,2-dimethylpiperidin-4-yl)-2-ethylguanidine
PubChem CID104887817
Molecular FormulaC10H23N5
Molecular Weight213.33 g/mol
Exact Mass213.20
IUPAC Name1-amino-3-(1,2-dimethylpiperidin-4-yl)-2-ethylguanidine
SMILESCC/N=C(\NN)NC1CCN(C)C(C)C1
InChIInChI=1S/C10H23N5/c1-4-12-10(14-11)13-9-5-6-15(3)8(2)7-9/h8-9H,4-7,11H2,1-3H3,(H2,12,13,14)
InChIKeyFPRSJLAVRHAIGD-UHFFFAOYSA-N
XLogP-0.10
TPSA65.68 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.33
LogP ≤ 5-0.10
H-Bond Donors ≤ 53
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

1-amino-2-ethyl-3-(3-ethylcyclohexyl)guanidine
CID 104886810
(1,2-dimethylpiperidin-4-yl)hydrazine
CID 55281806
[(2S,4S)-1,2-dimethylpiperidin-4-yl]hydrazine;hydrochloride
CID 170897700
1-amino-3-(1-methylpyrrolidin-3-yl)-2-propylguanidine
CID 104885074
(2R)-2-amino-N-(1,2-dimethylpiperidin-4-yl)pentanamide
CID 103814653
1-amino-2-ethyl-3-(4-propylcyclohexyl)guanidine
CID 104885055
(2S,4R)-N,1,2-trimethylpiperidin-4-amine
CID 94244017
(2R,4S)-N,1,2-trimethylpiperidin-4-amine
CID 94244018
ethane;N,1,2-trimethylpiperidin-4-amine
CID 178011529
1-cyclopentyl-3-(1,2-dimethylpiperidin-4-yl)thiourea
CID 116509599
1-amino-2-(3-methoxypropyl)-3-(1-methylpiperidin-4-yl)guanidine
CID 104883732
3,5-dibromo-N-(1,2-dimethylpiperidin-4-yl)benzamide
CID 103908813

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(1,2-dimethylpiperidin-4-yl)-2-ethylguanidine?
The IUPAC name of 1-amino-3-(1,2-dimethylpiperidin-4-yl)-2-ethylguanidine (CID 104887817) is 1-amino-3-(1,2-dimethylpiperidin-4-yl)-2-ethylguanidine.
What is the SMILES notation for 1-amino-3-(1,2-dimethylpiperidin-4-yl)-2-ethylguanidine?
The canonical SMILES for 1-amino-3-(1,2-dimethylpiperidin-4-yl)-2-ethylguanidine is CC/N=C(\NN)NC1CCN(C)C(C)C1.
What is the InChIKey of 1-amino-3-(1,2-dimethylpiperidin-4-yl)-2-ethylguanidine?
The InChIKey is FPRSJLAVRHAIGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23N5/c1-4-12-10(14-11)13-9-5-6-15(3)8(2)7-9/h8-9H,4-7,11H2,1-3H3,(H2,12,13,14).
What are the key properties of 1-amino-3-(1,2-dimethylpiperidin-4-yl)-2-ethylguanidine?
1-amino-3-(1,2-dimethylpiperidin-4-yl)-2-ethylguanidine has a molecular weight of 213.33 g/mol, XLogP of -0.10, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(1,2-dimethylpiperidin-4-yl)-2-ethylguanidine is sourced from PubChem (CID 104887817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).