1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-ethyl-2-(3-methoxypropyl)guanidine

C15H32N4O — CID 110976015

IUPAC1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-ethyl-2-(3-methoxypropyl)guanidine
SMILESCCN/C(=N\CCCOC)NCCN(C(C)C)C1CC1
InChIInChI=1S/C15H32N4O/c1-5-16-15(17-9-6-12-20-4)18-10-11-19(13(2)3)14-7-8-14/h13-14H,5-12H2,1-4H3,(H2,16,17,18)
InChIKeyRBZRRYIAAXPKEQ-UHFFFAOYSA-N
MW284.45 g/mol
LogP1.45
Rot. Bonds10

About 1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-ethyl-2-(3-methoxypropyl)guanidine

1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-ethyl-2-(3-methoxypropyl)guanidine (PubChem CID 110976015) has the molecular formula C15H32N4O and a molecular weight of 284.45 g/mol. Its IUPAC name is 1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-ethyl-2-(3-methoxypropyl)guanidine.

Molecular Properties

Compound Name1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-ethyl-2-(3-methoxypropyl)guanidine
PubChem CID110976015
Molecular FormulaC15H32N4O
Molecular Weight284.45 g/mol
Exact Mass284.26
IUPAC Name1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-ethyl-2-(3-methoxypropyl)guanidine
SMILESCCN/C(=N\CCCOC)NCCN(C(C)C)C1CC1
InChIInChI=1S/C15H32N4O/c1-5-16-15(17-9-6-12-20-4)18-10-11-19(13(2)3)14-7-8-14/h13-14H,5-12H2,1-4H3,(H2,16,17,18)
InChIKeyRBZRRYIAAXPKEQ-UHFFFAOYSA-N
XLogP1.45
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(3-butoxypropyl)-1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-ethylguanidine
CID 111240091
1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-ethyl-2-[3-(oxan-4-ylmethoxy)propyl]guanidine
CID 111642588
1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-ethyl-2-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109474512
1-ethyl-3-(2-methoxyethyl)-2-[4-[methyl(propan-2-yl)amino]butyl]guanidine
CID 110942648
2-[3-(cyclopropylmethoxy)propyl]-1-ethyl-3-[2-[2-methoxyethyl(methyl)amino]ethyl]guanidine
CID 111391243
1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-ethyl-2-[(2-methoxyphenyl)methyl]guanidine;hydroiodide
CID 111217242
2-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide
CID 136925955
1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-(3-ethoxypropyl)-2-methylguanidine
CID 111225079
2-(3-butoxypropyl)-1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-ethylguanidine;hydroiodide
CID 111239528
2-(3-cyclopentylpropyl)-1-ethyl-3-[2-[2-methoxyethyl(methyl)amino]ethyl]guanidine;hydroiodide
CID 111946828
1-ethyl-2-(3-methoxypropyl)-3-[2-(3-methylbutoxy)ethyl]guanidine
CID 110976669
1-ethyl-3-[2-(2-methoxyethoxy)ethyl]-2-[3-(2-methoxyethoxy)propyl]guanidine
CID 111404627

Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-ethyl-2-(3-methoxypropyl)guanidine?
The IUPAC name of 1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-ethyl-2-(3-methoxypropyl)guanidine (CID 110976015) is 1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-ethyl-2-(3-methoxypropyl)guanidine.
What is the SMILES notation for 1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-ethyl-2-(3-methoxypropyl)guanidine?
The canonical SMILES for 1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-ethyl-2-(3-methoxypropyl)guanidine is CCN/C(=N\CCCOC)NCCN(C(C)C)C1CC1.
What is the InChIKey of 1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-ethyl-2-(3-methoxypropyl)guanidine?
The InChIKey is RBZRRYIAAXPKEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4O/c1-5-16-15(17-9-6-12-20-4)18-10-11-19(13(2)3)14-7-8-14/h13-14H,5-12H2,1-4H3,(H2,16,17,18).
What are the key properties of 1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-ethyl-2-(3-methoxypropyl)guanidine?
1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-ethyl-2-(3-methoxypropyl)guanidine has a molecular weight of 284.45 g/mol, XLogP of 1.45, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-ethyl-2-(3-methoxypropyl)guanidine is sourced from PubChem (CID 110976015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).