2-[(1-cyclopropylcyclopropyl)methyl]-1-propylguanidine

C11H21N3 — CID 103837178

IUPAC2-[(1-cyclopropylcyclopropyl)methyl]-1-propylguanidine
SMILESCCCN/C(N)=N/CC1(C2CC2)CC1
InChIInChI=1S/C11H21N3/c1-2-7-13-10(12)14-8-11(5-6-11)9-3-4-9/h9H,2-8H2,1H3,(H3,12,13,14)
InChIKeyBMAGYKSJKWOGEG-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.49
Rot. Bonds5

About 2-[(1-cyclopropylcyclopropyl)methyl]-1-propylguanidine

2-[(1-cyclopropylcyclopropyl)methyl]-1-propylguanidine (PubChem CID 103837178) has the molecular formula C11H21N3 and a molecular weight of 195.31 g/mol. Its IUPAC name is 2-[(1-cyclopropylcyclopropyl)methyl]-1-propylguanidine.

Molecular Properties

Compound Name2-[(1-cyclopropylcyclopropyl)methyl]-1-propylguanidine
PubChem CID103837178
Molecular FormulaC11H21N3
Molecular Weight195.31 g/mol
Exact Mass195.17
IUPAC Name2-[(1-cyclopropylcyclopropyl)methyl]-1-propylguanidine
SMILESCCCN/C(N)=N/CC1(C2CC2)CC1
InChIInChI=1S/C11H21N3/c1-2-7-13-10(12)14-8-11(5-6-11)9-3-4-9/h9H,2-8H2,1H3,(H3,12,13,14)
InChIKeyBMAGYKSJKWOGEG-UHFFFAOYSA-N
XLogP1.49
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[(1-cyclopropylcyclopropyl)methyl]-1-ethylguanidine
CID 103837179
2-[(1-propan-2-ylcyclopropyl)methyl]-1-propylguanidine
CID 103742062
2-[(1-methylsulfonylcyclopropyl)methyl]-1-propylguanidine
CID 120662788
2-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1-propylguanidine
CID 114756986
2-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1-propylguanidine
CID 107265937
2-[(2-methylthiolan-2-yl)methyl]-1-propylguanidine
CID 80528023
2-[[1-(2-fluorophenyl)cyclopropyl]methyl]-1-propylguanidine;hydroiodide
CID 111816613
2-[(1-morpholin-4-ylcyclohexyl)methyl]-1-propylguanidine
CID 111027624
1-propyl-2-[(1-thiomorpholin-4-ylcyclohexyl)methyl]guanidine
CID 111811626
2-(2,2-dimethylpropyl)-1-propylguanidine
CID 62361794
2-[[amino(propylamino)methylidene]amino]acetic acid
CID 87703719
2-[[1-(4-methoxyphenyl)cyclohexyl]methyl]-1-propylguanidine
CID 111081352

Frequently Asked Questions

What is the IUPAC name of 2-[(1-cyclopropylcyclopropyl)methyl]-1-propylguanidine?
The IUPAC name of 2-[(1-cyclopropylcyclopropyl)methyl]-1-propylguanidine (CID 103837178) is 2-[(1-cyclopropylcyclopropyl)methyl]-1-propylguanidine.
What is the SMILES notation for 2-[(1-cyclopropylcyclopropyl)methyl]-1-propylguanidine?
The canonical SMILES for 2-[(1-cyclopropylcyclopropyl)methyl]-1-propylguanidine is CCCN/C(N)=N/CC1(C2CC2)CC1.
What is the InChIKey of 2-[(1-cyclopropylcyclopropyl)methyl]-1-propylguanidine?
The InChIKey is BMAGYKSJKWOGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3/c1-2-7-13-10(12)14-8-11(5-6-11)9-3-4-9/h9H,2-8H2,1H3,(H3,12,13,14).
What are the key properties of 2-[(1-cyclopropylcyclopropyl)methyl]-1-propylguanidine?
2-[(1-cyclopropylcyclopropyl)methyl]-1-propylguanidine has a molecular weight of 195.31 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-cyclopropylcyclopropyl)methyl]-1-propylguanidine is sourced from PubChem (CID 103837178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).