3-(diaminomethylidene)-1-(2-methoxyethyl)-1-(3-methoxypropyl)guanidine

C9H21N5O2 — CID 83032025

IUPAC3-(diaminomethylidene)-1-(2-methoxyethyl)-1-(3-methoxypropyl)guanidine
SMILES[H]/N=C(\N=C(N)N)N(CCCOC)CCOC
InChIInChI=1S/C9H21N5O2/c1-15-6-3-4-14(5-7-16-2)9(12)13-8(10)11/h3-7H2,1-2H3,(H5,10,11,12,13)
InChIKeyLZIYRUSZTQBLHO-UHFFFAOYSA-N
MW231.30 g/mol
LogP-0.82
Rot. Bonds7

About 3-(diaminomethylidene)-1-(2-methoxyethyl)-1-(3-methoxypropyl)guanidine

3-(diaminomethylidene)-1-(2-methoxyethyl)-1-(3-methoxypropyl)guanidine (PubChem CID 83032025) has the molecular formula C9H21N5O2 and a molecular weight of 231.30 g/mol. Its IUPAC name is 3-(diaminomethylidene)-1-(2-methoxyethyl)-1-(3-methoxypropyl)guanidine.

Molecular Properties

Compound Name3-(diaminomethylidene)-1-(2-methoxyethyl)-1-(3-methoxypropyl)guanidine
PubChem CID83032025
Molecular FormulaC9H21N5O2
Molecular Weight231.30 g/mol
Exact Mass231.17
IUPAC Name3-(diaminomethylidene)-1-(2-methoxyethyl)-1-(3-methoxypropyl)guanidine
SMILES[H]/N=C(\N=C(N)N)N(CCCOC)CCOC
InChIInChI=1S/C9H21N5O2/c1-15-6-3-4-14(5-7-16-2)9(12)13-8(10)11/h3-7H2,1-2H3,(H5,10,11,12,13)
InChIKeyLZIYRUSZTQBLHO-UHFFFAOYSA-N
XLogP-0.82
TPSA109.95 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 5-0.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1,1-Bis(3-methoxypropyl)guanidine
CID 18681242
1,1-Bis(2-methoxypropyl)guanidine
CID 18681252
1,1-Bis(2-ethoxyethyl)guanidine
CID 18681268
1,1-Bis(3-ethoxypropyl)guanidine
CID 23103996
1,1-Bis(3-propoxypropyl)guanidine
CID 23104038
1,1-Bis(2-methoxyethyl)-2-methylguanidine
CID 62359517
1-(2-Methoxyethyl)-6,6-dimethyl-1,3,5-triazine-2,4-diamine
CID 66765615
1-(2-Methoxyethyl)-1-propylguanidine
CID 118886745
1,1-Bis(2-methoxyethyl)-3-methylideneguanidine
CID 156839697
1,1-Bis(2-methoxyethyl)-2-methyl-3-propylguanidine;ethane
CID 156839791
1-Ethyl-2-[[ethyl-[2-(iodomethoxy)ethyl]amino]methyl]-1-(3-methoxypropyl)guanidine
CID 173730005
2-(Diethylaminomethyl)-1-(3-methoxypropyl)-1-propan-2-ylguanidine
CID 173908677

Frequently Asked Questions

What is the IUPAC name of 3-(diaminomethylidene)-1-(2-methoxyethyl)-1-(3-methoxypropyl)guanidine?
The IUPAC name of 3-(diaminomethylidene)-1-(2-methoxyethyl)-1-(3-methoxypropyl)guanidine (CID 83032025) is 3-(diaminomethylidene)-1-(2-methoxyethyl)-1-(3-methoxypropyl)guanidine.
What is the SMILES notation for 3-(diaminomethylidene)-1-(2-methoxyethyl)-1-(3-methoxypropyl)guanidine?
The canonical SMILES for 3-(diaminomethylidene)-1-(2-methoxyethyl)-1-(3-methoxypropyl)guanidine is [H]/N=C(\N=C(N)N)N(CCCOC)CCOC.
What is the InChIKey of 3-(diaminomethylidene)-1-(2-methoxyethyl)-1-(3-methoxypropyl)guanidine?
The InChIKey is LZIYRUSZTQBLHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21N5O2/c1-15-6-3-4-14(5-7-16-2)9(12)13-8(10)11/h3-7H2,1-2H3,(H5,10,11,12,13).
What are the key properties of 3-(diaminomethylidene)-1-(2-methoxyethyl)-1-(3-methoxypropyl)guanidine?
3-(diaminomethylidene)-1-(2-methoxyethyl)-1-(3-methoxypropyl)guanidine has a molecular weight of 231.30 g/mol, XLogP of -0.82, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(diaminomethylidene)-1-(2-methoxyethyl)-1-(3-methoxypropyl)guanidine is sourced from PubChem (CID 83032025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).