1-amino-2-(dicyclopropylmethyl)-3-propan-2-ylguanidine

C11H22N4 — CID 104885602

IUPAC1-amino-2-(dicyclopropylmethyl)-3-propan-2-ylguanidine
SMILESCC(C)N/C(=N\C(C1CC1)C1CC1)NN
InChIInChI=1S/C11H22N4/c1-7(2)13-11(15-12)14-10(8-3-4-8)9-5-6-9/h7-10H,3-6,12H2,1-2H3,(H2,13,14,15)
InChIKeySGIJBGMZUIYQRJ-UHFFFAOYSA-N
MW210.32 g/mol
LogP0.99
Rot. Bonds4

About 1-amino-2-(dicyclopropylmethyl)-3-propan-2-ylguanidine

1-amino-2-(dicyclopropylmethyl)-3-propan-2-ylguanidine (PubChem CID 104885602) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-amino-2-(dicyclopropylmethyl)-3-propan-2-ylguanidine.

Molecular Properties

Compound Name1-amino-2-(dicyclopropylmethyl)-3-propan-2-ylguanidine
PubChem CID104885602
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC Name1-amino-2-(dicyclopropylmethyl)-3-propan-2-ylguanidine
SMILESCC(C)N/C(=N\C(C1CC1)C1CC1)NN
InChIInChI=1S/C11H22N4/c1-7(2)13-11(15-12)14-10(8-3-4-8)9-5-6-9/h7-10H,3-6,12H2,1-2H3,(H2,13,14,15)
InChIKeySGIJBGMZUIYQRJ-UHFFFAOYSA-N
XLogP0.99
TPSA62.44 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 50.99
H-Bond Donors ≤ 53
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

1-amino-2-(2-cyclopropylpropyl)-3-propan-2-ylguanidine
CID 104888583
1-amino-2-[cyclobutyl(cyclopropyl)methyl]guanidine
CID 131048462
1-amino-2-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-3-propan-2-ylguanidine
CID 104883015
1-amino-2-[(2-methylcyclopentyl)methyl]-3-propan-2-ylguanidine
CID 107421475
1-amino-2-[4-(dimethylamino)butan-2-yl]-3-propan-2-ylguanidine
CID 104885249
1-amino-2-(2-ethoxypropyl)-3-propan-2-ylguanidine
CID 104888645
1-amino-2-(1-methylsulfinylpropan-2-yl)-3-propan-2-ylguanidine
CID 104888530
1-amino-2-(1-methylsulfanylbutan-2-yl)-3-propan-2-ylguanidine
CID 104889084
1-amino-2-[(1-methylpyrrolidin-3-yl)methyl]-3-propan-2-ylguanidine
CID 104884151
N-amino-N'-cyclohexyl-2-cyclopropylpropanimidamide
CID 83148479
1,2,3-tri(propan-2-yl)guanidine
CID 547015
N-amino-N'-tert-butyl-2-cyclopropylpropanimidamide
CID 83148345

Frequently Asked Questions

What is the IUPAC name of 1-amino-2-(dicyclopropylmethyl)-3-propan-2-ylguanidine?
The IUPAC name of 1-amino-2-(dicyclopropylmethyl)-3-propan-2-ylguanidine (CID 104885602) is 1-amino-2-(dicyclopropylmethyl)-3-propan-2-ylguanidine.
What is the SMILES notation for 1-amino-2-(dicyclopropylmethyl)-3-propan-2-ylguanidine?
The canonical SMILES for 1-amino-2-(dicyclopropylmethyl)-3-propan-2-ylguanidine is CC(C)N/C(=N\C(C1CC1)C1CC1)NN.
What is the InChIKey of 1-amino-2-(dicyclopropylmethyl)-3-propan-2-ylguanidine?
The InChIKey is SGIJBGMZUIYQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4/c1-7(2)13-11(15-12)14-10(8-3-4-8)9-5-6-9/h7-10H,3-6,12H2,1-2H3,(H2,13,14,15).
What are the key properties of 1-amino-2-(dicyclopropylmethyl)-3-propan-2-ylguanidine?
1-amino-2-(dicyclopropylmethyl)-3-propan-2-ylguanidine has a molecular weight of 210.32 g/mol, XLogP of 0.99, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-2-(dicyclopropylmethyl)-3-propan-2-ylguanidine is sourced from PubChem (CID 104885602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).