2-[2-(cyclopropylmethoxy)ethyl]-1-ethyl-3-heptan-2-ylguanidine

C16H33N3O — CID 111762505

IUPAC2-[2-(cyclopropylmethoxy)ethyl]-1-ethyl-3-heptan-2-ylguanidine
SMILESCCCCCC(C)N/C(=N/CCOCC1CC1)NCC
InChIInChI=1S/C16H33N3O/c1-4-6-7-8-14(3)19-16(17-5-2)18-11-12-20-13-15-9-10-15/h14-15H,4-13H2,1-3H3,(H2,17,18,19)
InChIKeyCBJUWEWUUXJTQD-UHFFFAOYSA-N
MW283.46 g/mol
LogP2.94
Rot. Bonds11

About 2-[2-(cyclopropylmethoxy)ethyl]-1-ethyl-3-heptan-2-ylguanidine

2-[2-(cyclopropylmethoxy)ethyl]-1-ethyl-3-heptan-2-ylguanidine (PubChem CID 111762505) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is 2-[2-(cyclopropylmethoxy)ethyl]-1-ethyl-3-heptan-2-ylguanidine.

Molecular Properties

Compound Name2-[2-(cyclopropylmethoxy)ethyl]-1-ethyl-3-heptan-2-ylguanidine
PubChem CID111762505
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC Name2-[2-(cyclopropylmethoxy)ethyl]-1-ethyl-3-heptan-2-ylguanidine
SMILESCCCCCC(C)N/C(=N/CCOCC1CC1)NCC
InChIInChI=1S/C16H33N3O/c1-4-6-7-8-14(3)19-16(17-5-2)18-11-12-20-13-15-9-10-15/h14-15H,4-13H2,1-3H3,(H2,17,18,19)
InChIKeyCBJUWEWUUXJTQD-UHFFFAOYSA-N
XLogP2.94
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(cyclopropylmethyl)-1-ethyl-3-heptan-2-ylguanidine;hydroiodide
CID 111195113
2-[3-(cyclopropylmethoxy)-2-hydroxypropyl]-1-ethyl-3-heptan-2-ylguanidine
CID 111195694
1-ethyl-3-heptan-2-yl-2-[2-(2-methoxyethoxy)ethyl]guanidine;hydroiodide
CID 111195085
1-ethyl-3-heptan-2-yl-2-[3-(2-methoxyethoxy)propyl]guanidine;hydroiodide
CID 111195091
1-[2-(cyclopropylmethoxy)ethyl]-3-heptan-2-yl-2-methylguanidine;hydroiodide
CID 111762486
1-ethyl-2-[2-(2-methylsulfonylethoxy)ethyl]-3-octan-2-ylguanidine
CID 111512580
1-(2-butoxyethyl)-2-[3-(cyclopropylmethoxy)propyl]-3-ethylguanidine;hydroiodide
CID 111392052
1-ethyl-3-heptan-2-yl-2-(2-hydroxyethyl)guanidine;hydroiodide
CID 111195219
2-(2-butoxyethyl)-1-ethyl-3-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111238012
2-[3-(cyclopropylmethoxy)propyl]-1-ethyl-3-[2-(2-methylpropoxy)ethyl]guanidine
CID 111392977
1-ethyl-3-(5-methylhexan-2-yl)-2-[3-(oxolan-3-ylmethoxy)propyl]guanidine
CID 111773386
3-[[N'-[3-(cyclopropylmethoxy)propyl]-N-ethylcarbamimidoyl]amino]-N-propan-2-ylpropanamide
CID 111391123

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopropylmethoxy)ethyl]-1-ethyl-3-heptan-2-ylguanidine?
The IUPAC name of 2-[2-(cyclopropylmethoxy)ethyl]-1-ethyl-3-heptan-2-ylguanidine (CID 111762505) is 2-[2-(cyclopropylmethoxy)ethyl]-1-ethyl-3-heptan-2-ylguanidine.
What is the SMILES notation for 2-[2-(cyclopropylmethoxy)ethyl]-1-ethyl-3-heptan-2-ylguanidine?
The canonical SMILES for 2-[2-(cyclopropylmethoxy)ethyl]-1-ethyl-3-heptan-2-ylguanidine is CCCCCC(C)N/C(=N/CCOCC1CC1)NCC.
What is the InChIKey of 2-[2-(cyclopropylmethoxy)ethyl]-1-ethyl-3-heptan-2-ylguanidine?
The InChIKey is CBJUWEWUUXJTQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-4-6-7-8-14(3)19-16(17-5-2)18-11-12-20-13-15-9-10-15/h14-15H,4-13H2,1-3H3,(H2,17,18,19).
What are the key properties of 2-[2-(cyclopropylmethoxy)ethyl]-1-ethyl-3-heptan-2-ylguanidine?
2-[2-(cyclopropylmethoxy)ethyl]-1-ethyl-3-heptan-2-ylguanidine has a molecular weight of 283.46 g/mol, XLogP of 2.94, 11 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopropylmethoxy)ethyl]-1-ethyl-3-heptan-2-ylguanidine is sourced from PubChem (CID 111762505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).