3-amino-1-(cyclopropylmethyl)-1-ethyl-2-propylguanidine

C10H22N4 — CID 104886562

IUPAC3-amino-1-(cyclopropylmethyl)-1-ethyl-2-propylguanidine
SMILESCCC/N=C(\NN)N(CC)CC1CC1
InChIInChI=1S/C10H22N4/c1-3-7-12-10(13-11)14(4-2)8-9-5-6-9/h9H,3-8,11H2,1-2H3,(H,12,13)
InChIKeyIBFWXAUSJQWIJG-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.95
Rot. Bonds5

About 3-amino-1-(cyclopropylmethyl)-1-ethyl-2-propylguanidine

3-amino-1-(cyclopropylmethyl)-1-ethyl-2-propylguanidine (PubChem CID 104886562) has the molecular formula C10H22N4 and a molecular weight of 198.31 g/mol. Its IUPAC name is 3-amino-1-(cyclopropylmethyl)-1-ethyl-2-propylguanidine.

Molecular Properties

Compound Name3-amino-1-(cyclopropylmethyl)-1-ethyl-2-propylguanidine
PubChem CID104886562
Molecular FormulaC10H22N4
Molecular Weight198.31 g/mol
Exact Mass198.18
IUPAC Name3-amino-1-(cyclopropylmethyl)-1-ethyl-2-propylguanidine
SMILESCCC/N=C(\NN)N(CC)CC1CC1
InChIInChI=1S/C10H22N4/c1-3-7-12-10(13-11)14(4-2)8-9-5-6-9/h9H,3-8,11H2,1-2H3,(H,12,13)
InChIKeyIBFWXAUSJQWIJG-UHFFFAOYSA-N
XLogP0.95
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

3-amino-2-butyl-1-cyclopropyl-1-(cyclopropylmethyl)guanidine
CID 104886998
3-amino-1-(cyclopropylmethyl)-2-(3-ethoxypropyl)-1-propylguanidine
CID 104884628
3-amino-1-butyl-1-ethyl-2-propylguanidine
CID 104883414
3-amino-1-ethyl-1-(2-methylpropyl)-2-propylguanidine
CID 104883496
3-amino-1,1,2-tripropylguanidine
CID 104883381
3-amino-1-ethyl-1-(2-methylbutyl)-2-propylguanidine
CID 104887379
3-amino-1-ethyl-1-propan-2-yl-2-propylguanidine
CID 104883542
3-amino-1-butan-2-yl-1-ethyl-2-propylguanidine
CID 104883649
3-amino-1,1-bis(2-ethoxyethyl)-2-propylguanidine
CID 104888011
3-amino-1-(cyclopropylmethyl)-2-(3-ethoxypropyl)-1-propan-2-ylguanidine
CID 104885483
1,1-bis(cyclopropylmethyl)-3,3-diethylurea
CID 115629557
3-amino-2-butyl-1-ethyl-1-(2-ethylbutyl)guanidine
CID 104884793

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(cyclopropylmethyl)-1-ethyl-2-propylguanidine?
The IUPAC name of 3-amino-1-(cyclopropylmethyl)-1-ethyl-2-propylguanidine (CID 104886562) is 3-amino-1-(cyclopropylmethyl)-1-ethyl-2-propylguanidine.
What is the SMILES notation for 3-amino-1-(cyclopropylmethyl)-1-ethyl-2-propylguanidine?
The canonical SMILES for 3-amino-1-(cyclopropylmethyl)-1-ethyl-2-propylguanidine is CCC/N=C(\NN)N(CC)CC1CC1.
What is the InChIKey of 3-amino-1-(cyclopropylmethyl)-1-ethyl-2-propylguanidine?
The InChIKey is IBFWXAUSJQWIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N4/c1-3-7-12-10(13-11)14(4-2)8-9-5-6-9/h9H,3-8,11H2,1-2H3,(H,12,13).
What are the key properties of 3-amino-1-(cyclopropylmethyl)-1-ethyl-2-propylguanidine?
3-amino-1-(cyclopropylmethyl)-1-ethyl-2-propylguanidine has a molecular weight of 198.31 g/mol, XLogP of 0.95, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(cyclopropylmethyl)-1-ethyl-2-propylguanidine is sourced from PubChem (CID 104886562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).