1-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-[(1-hydroxycyclobutyl)methyl]guanidine

C15H29N3O — CID 109470756

IUPAC1-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-[(1-hydroxycyclobutyl)methyl]guanidine
SMILESCCN/C(=N\CC1(CC)CCC1)NCC1(O)CCC1
InChIInChI=1S/C15H29N3O/c1-3-14(7-5-8-14)11-17-13(16-4-2)18-12-15(19)9-6-10-15/h19H,3-12H2,1-2H3,(H2,16,17,18)
InChIKeyLRCIUWVZNRXJON-UHFFFAOYSA-N
MW267.42 g/mol
LogP2.04
Rot. Bonds6

About 1-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-[(1-hydroxycyclobutyl)methyl]guanidine

1-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-[(1-hydroxycyclobutyl)methyl]guanidine (PubChem CID 109470756) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 1-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-[(1-hydroxycyclobutyl)methyl]guanidine.

Molecular Properties

Compound Name1-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-[(1-hydroxycyclobutyl)methyl]guanidine
PubChem CID109470756
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name1-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-[(1-hydroxycyclobutyl)methyl]guanidine
SMILESCCN/C(=N\CC1(CC)CCC1)NCC1(O)CCC1
InChIInChI=1S/C15H29N3O/c1-3-14(7-5-8-14)11-17-13(16-4-2)18-12-15(19)9-6-10-15/h19H,3-12H2,1-2H3,(H2,16,17,18)
InChIKeyLRCIUWVZNRXJON-UHFFFAOYSA-N
XLogP2.04
TPSA56.65 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 52.04
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'}

Analyze 1-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-[(1-hydroxycyclobutyl)methyl]guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-(2-hydroxyethyl)guanidine
CID 109469706
1-ethyl-3-[(1-ethylcyclobutyl)methyl]-2-[[1-(2-methoxyethyl)cyclobutyl]methyl]guanidine
CID 109470204
1-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-(3-fluoropropyl)guanidine;hydroiodide
CID 109470205
1-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-[2-[ethyl(methyl)amino]ethyl]guanidine
CID 109470846
1-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]guanidine
CID 109468811
1-ethyl-2-[(1-hydroxycyclobutyl)methyl]-3-prop-2-ynylguanidine
CID 119156565
1-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]guanidine;hydroiodide
CID 109468810
1-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-(2-methylsulfonylethyl)guanidine;hydroiodide
CID 109468630
1-[3-(dimethylamino)propyl]-3-ethyl-2-[(1-ethylcyclobutyl)methyl]guanidine;hydroiodide
CID 109470617
2-[[1-(2-ethoxyethyl)cyclopropyl]methyl]-1-ethyl-3-[(1-ethylcyclobutyl)methyl]guanidine;hydroiodide
CID 109471021
1-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-[2-[methyl(propan-2-yl)amino]ethyl]guanidine
CID 109468705
1-[2-cyclopropyl-2-(dimethylamino)ethyl]-3-ethyl-2-[(1-ethylcyclobutyl)methyl]guanidine
CID 109469115

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-[(1-hydroxycyclobutyl)methyl]guanidine?
The IUPAC name of 1-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-[(1-hydroxycyclobutyl)methyl]guanidine (CID 109470756) is 1-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-[(1-hydroxycyclobutyl)methyl]guanidine.
What is the SMILES notation for 1-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-[(1-hydroxycyclobutyl)methyl]guanidine?
The canonical SMILES for 1-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-[(1-hydroxycyclobutyl)methyl]guanidine is CCN/C(=N\CC1(CC)CCC1)NCC1(O)CCC1.
What is the InChIKey of 1-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-[(1-hydroxycyclobutyl)methyl]guanidine?
The InChIKey is LRCIUWVZNRXJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-3-14(7-5-8-14)11-17-13(16-4-2)18-12-15(19)9-6-10-15/h19H,3-12H2,1-2H3,(H2,16,17,18).
What are the key properties of 1-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-[(1-hydroxycyclobutyl)methyl]guanidine?
1-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-[(1-hydroxycyclobutyl)methyl]guanidine has a molecular weight of 267.42 g/mol, XLogP of 2.04, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-[(1-ethylcyclobutyl)methyl]-3-[(1-hydroxycyclobutyl)methyl]guanidine is sourced from PubChem (CID 109470756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).