2-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1-propylguanidine

C10H21N3O — CID 114756986

IUPAC2-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1-propylguanidine
SMILESCCCN/C(N)=N/CC1(CCO)CC1
InChIInChI=1S/C10H21N3O/c1-2-6-12-9(11)13-8-10(3-4-10)5-7-14/h14H,2-8H2,1H3,(H3,11,12,13)
InChIKeyXAIPQMSUISVMDP-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.46
Rot. Bonds6

About 2-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1-propylguanidine

2-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1-propylguanidine (PubChem CID 114756986) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 2-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1-propylguanidine.

Molecular Properties

Compound Name2-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1-propylguanidine
PubChem CID114756986
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name2-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1-propylguanidine
SMILESCCCN/C(N)=N/CC1(CCO)CC1
InChIInChI=1S/C10H21N3O/c1-2-6-12-9(11)13-8-10(3-4-10)5-7-14/h14H,2-8H2,1H3,(H3,11,12,13)
InChIKeyXAIPQMSUISVMDP-UHFFFAOYSA-N
XLogP0.46
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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

1-ethyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]-3-propylguanidine
CID 109477756
2-[(1-propan-2-ylcyclopropyl)methyl]-1-propylguanidine
CID 103742062
2-[(1-methylsulfonylcyclopropyl)methyl]-1-propylguanidine
CID 120662788
2-[(1-cyclopropylcyclopropyl)methyl]-1-propylguanidine
CID 103837178
1-propan-2-yl-2-[(1-propylcyclopropyl)methyl]guanidine
CID 103761307
1-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-3-propylurea
CID 114749715
2-[(2-methylthiolan-2-yl)methyl]-1-propylguanidine
CID 80528023
2-[1-(propylaminomethyl)cyclopropyl]ethanol
CID 114756075
2-[(3-hydroxy-2-methyloxolan-3-yl)methyl]-1-propylguanidine
CID 107265937
1-butyl-3-ethyl-2-[[1-(2-hydroxyethyl)cyclohexyl]methyl]guanidine
CID 109477971
1-propyl-2-[(1-thiomorpholin-4-ylcyclohexyl)methyl]guanidine
CID 111811626
2-[(1-morpholin-4-ylcyclohexyl)methyl]-1-propylguanidine
CID 111027624

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1-propylguanidine?
The IUPAC name of 2-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1-propylguanidine (CID 114756986) is 2-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1-propylguanidine.
What is the SMILES notation for 2-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1-propylguanidine?
The canonical SMILES for 2-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1-propylguanidine is CCCN/C(N)=N/CC1(CCO)CC1.
What is the InChIKey of 2-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1-propylguanidine?
The InChIKey is XAIPQMSUISVMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-2-6-12-9(11)13-8-10(3-4-10)5-7-14/h14H,2-8H2,1H3,(H3,11,12,13).
What are the key properties of 2-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1-propylguanidine?
2-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1-propylguanidine has a molecular weight of 199.30 g/mol, XLogP of 0.46, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-1-propylguanidine is sourced from PubChem (CID 114756986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).