1-amino-2-(3-methoxypropyl)-3-(1-propylpiperidin-4-yl)guanidine

C13H29N5O — CID 104885498

IUPAC1-amino-2-(3-methoxypropyl)-3-(1-propylpiperidin-4-yl)guanidine
SMILESCCCN1CCC(N/C(=N/CCCOC)NN)CC1
InChIInChI=1S/C13H29N5O/c1-3-8-18-9-5-12(6-10-18)16-13(17-14)15-7-4-11-19-2/h12H,3-11,14H2,1-2H3,(H2,15,16,17)
InChIKeyXIIAMHNLWUKNSA-UHFFFAOYSA-N
MW271.41 g/mol
LogP0.31
Rot. Bonds7

About 1-amino-2-(3-methoxypropyl)-3-(1-propylpiperidin-4-yl)guanidine

1-amino-2-(3-methoxypropyl)-3-(1-propylpiperidin-4-yl)guanidine (PubChem CID 104885498) has the molecular formula C13H29N5O and a molecular weight of 271.41 g/mol. Its IUPAC name is 1-amino-2-(3-methoxypropyl)-3-(1-propylpiperidin-4-yl)guanidine.

Molecular Properties

Compound Name1-amino-2-(3-methoxypropyl)-3-(1-propylpiperidin-4-yl)guanidine
PubChem CID104885498
Molecular FormulaC13H29N5O
Molecular Weight271.41 g/mol
Exact Mass271.24
IUPAC Name1-amino-2-(3-methoxypropyl)-3-(1-propylpiperidin-4-yl)guanidine
SMILESCCCN1CCC(N/C(=N/CCCOC)NN)CC1
InChIInChI=1S/C13H29N5O/c1-3-8-18-9-5-12(6-10-18)16-13(17-14)15-7-4-11-19-2/h12H,3-11,14H2,1-2H3,(H2,15,16,17)
InChIKeyXIIAMHNLWUKNSA-UHFFFAOYSA-N
XLogP0.31
TPSA74.91 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 50.31
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-2-(3-methoxypropyl)-3-(1-methylpiperidin-4-yl)guanidine
CID 104883732
1-ethyl-2-(3-methoxypropyl)-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111018414
1-amino-2-(3-methoxypropyl)-3-(thiolan-3-yl)guanidine
CID 103065587
1-[3-(2-methoxyethoxy)propyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine
CID 111019565
2-(2-butoxyethyl)-1-ethyl-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111019880
1-ethyl-2-(2-hydroxyethyl)-3-[1-(2-methoxyethyl)piperidin-4-yl]guanidine
CID 111991889
1-ethyl-2-(3-phenoxypropyl)-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111018552
methyl 5-[[ethylamino-[(1-propylpiperidin-4-yl)amino]methylidene]amino]pentanoate;hydroiodide
CID 111017678
1-ethyl-2-[3-(3-methoxyphenoxy)propyl]-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111791654
1-ethyl-2-(3-methoxypropyl)-3-[2-(4-methylpiperidin-1-yl)ethyl]guanidine
CID 110973779
1-ethyl-2-(5-methylhexyl)-3-(1-propylpiperidin-4-yl)guanidine
CID 111791545
1-amino-3-(1-methylpyrrolidin-3-yl)-2-propylguanidine
CID 104885074

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(3-methoxypropyl)-3-(1-propylpiperidin-4-yl)guanidine?
The IUPAC name of 1-amino-2-(3-methoxypropyl)-3-(1-propylpiperidin-4-yl)guanidine (CID 104885498) is 1-amino-2-(3-methoxypropyl)-3-(1-propylpiperidin-4-yl)guanidine.
What is the SMILES notation for 1-amino-2-(3-methoxypropyl)-3-(1-propylpiperidin-4-yl)guanidine?
The canonical SMILES for 1-amino-2-(3-methoxypropyl)-3-(1-propylpiperidin-4-yl)guanidine is CCCN1CCC(N/C(=N/CCCOC)NN)CC1.
What is the InChIKey of 1-amino-2-(3-methoxypropyl)-3-(1-propylpiperidin-4-yl)guanidine?
The InChIKey is XIIAMHNLWUKNSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29N5O/c1-3-8-18-9-5-12(6-10-18)16-13(17-14)15-7-4-11-19-2/h12H,3-11,14H2,1-2H3,(H2,15,16,17).
What are the key properties of 1-amino-2-(3-methoxypropyl)-3-(1-propylpiperidin-4-yl)guanidine?
1-amino-2-(3-methoxypropyl)-3-(1-propylpiperidin-4-yl)guanidine has a molecular weight of 271.41 g/mol, XLogP of 0.31, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(3-methoxypropyl)-3-(1-propylpiperidin-4-yl)guanidine is sourced from PubChem (CID 104885498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).