1-amino-3-(1,3-dimethylpiperidin-4-yl)-2-(3-ethoxypropyl)guanidine

C13H29N5O — CID 104931190

IUPAC1-amino-3-(1,3-dimethylpiperidin-4-yl)-2-(3-ethoxypropyl)guanidine
SMILESCCOCCC/N=C(\NN)NC1CCN(C)CC1C
InChIInChI=1S/C13H29N5O/c1-4-19-9-5-7-15-13(17-14)16-12-6-8-18(3)10-11(12)2/h11-12H,4-10,14H2,1-3H3,(H2,15,16,17)
InChIKeyRYNJOGNLHVYKLA-UHFFFAOYSA-N
MW271.41 g/mol
LogP0.16
Rot. Bonds6

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

1-amino-3-(1,3-dimethylpiperidin-4-yl)-2-(3-ethoxypropyl)guanidine (PubChem CID 104931190) has the molecular formula C13H29N5O and a molecular weight of 271.41 g/mol. Its IUPAC name is 1-amino-3-(1,3-dimethylpiperidin-4-yl)-2-(3-ethoxypropyl)guanidine.

Molecular Properties

Compound Name1-amino-3-(1,3-dimethylpiperidin-4-yl)-2-(3-ethoxypropyl)guanidine
PubChem CID104931190
Molecular FormulaC13H29N5O
Molecular Weight271.41 g/mol
Exact Mass271.24
IUPAC Name1-amino-3-(1,3-dimethylpiperidin-4-yl)-2-(3-ethoxypropyl)guanidine
SMILESCCOCCC/N=C(\NN)NC1CCN(C)CC1C
InChIInChI=1S/C13H29N5O/c1-4-19-9-5-7-15-13(17-14)16-12-6-8-18(3)10-11(12)2/h11-12H,4-10,14H2,1-3H3,(H2,15,16,17)
InChIKeyRYNJOGNLHVYKLA-UHFFFAOYSA-N
XLogP0.16
TPSA74.91 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-3-(1,3-dimethylpiperidin-4-yl)-2-methylguanidine
CID 104931189
1-amino-2-(3-ethoxypropyl)-3-(3-ethyl-2-methylcyclopentyl)guanidine
CID 104886859
1-amino-3-(3,4-dimethylcyclohexyl)-2-(3-ethoxypropyl)guanidine
CID 104886733
3-amino-2-(3-ethoxypropyl)-1-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]guanidine
CID 104886040
1-amino-2-(3-methoxypropyl)-3-(1-methylpiperidin-4-yl)guanidine
CID 104883732
3-amino-2-(3-ethoxypropyl)-1-methyl-1-(1-methylpiperidin-4-yl)guanidine
CID 104883188
1-amino-3-(1-methylpyrrolidin-3-yl)-2-propylguanidine
CID 104885074
N-amino-N'-(3-ethoxypropyl)-3-methylpyrrolidine-1-carboximidamide
CID 104884380
1-amino-2-(3-methoxypropyl)-3-(1-propylpiperidin-4-yl)guanidine
CID 104885498
N-amino-N'-(3-ethoxypropyl)-3-propylpyrrolidine-1-carboximidamide
CID 104888291
2-hydroxyethyl N-(1,3-dimethylpiperidin-4-yl)carbamate
CID 114506096
3-amino-1-(cyclopropylmethyl)-2-(3-ethoxypropyl)-1-propylguanidine
CID 104884628

Frequently Asked Questions

What is the IUPAC name of 1-amino-3-(1,3-dimethylpiperidin-4-yl)-2-(3-ethoxypropyl)guanidine?
The IUPAC name of 1-amino-3-(1,3-dimethylpiperidin-4-yl)-2-(3-ethoxypropyl)guanidine (CID 104931190) is 1-amino-3-(1,3-dimethylpiperidin-4-yl)-2-(3-ethoxypropyl)guanidine.
What is the SMILES notation for 1-amino-3-(1,3-dimethylpiperidin-4-yl)-2-(3-ethoxypropyl)guanidine?
The canonical SMILES for 1-amino-3-(1,3-dimethylpiperidin-4-yl)-2-(3-ethoxypropyl)guanidine is CCOCCC/N=C(\NN)NC1CCN(C)CC1C.
What is the InChIKey of 1-amino-3-(1,3-dimethylpiperidin-4-yl)-2-(3-ethoxypropyl)guanidine?
The InChIKey is RYNJOGNLHVYKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N5O/c1-4-19-9-5-7-15-13(17-14)16-12-6-8-18(3)10-11(12)2/h11-12H,4-10,14H2,1-3H3,(H2,15,16,17).
What are the key properties of 1-amino-3-(1,3-dimethylpiperidin-4-yl)-2-(3-ethoxypropyl)guanidine?
1-amino-3-(1,3-dimethylpiperidin-4-yl)-2-(3-ethoxypropyl)guanidine has a molecular weight of 271.41 g/mol, XLogP of 0.16, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-3-(1,3-dimethylpiperidin-4-yl)-2-(3-ethoxypropyl)guanidine is sourced from PubChem (CID 104931190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).