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

C14H32N4 — CID 111150470

IUPAC2-butyl-1-ethyl-3-[2-[ethyl(propan-2-yl)amino]ethyl]guanidine
SMILESCCCC/N=C(\NCC)NCCN(CC)C(C)C
InChIInChI=1S/C14H32N4/c1-6-9-10-16-14(15-7-2)17-11-12-18(8-3)13(4)5/h13H,6-12H2,1-5H3,(H2,15,16,17)
InChIKeySSONQEDSGFCMJZ-UHFFFAOYSA-N
MW256.44 g/mol
LogP2.07
Rot. Bonds9

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

2-butyl-1-ethyl-3-[2-[ethyl(propan-2-yl)amino]ethyl]guanidine (PubChem CID 111150470) has the molecular formula C14H32N4 and a molecular weight of 256.44 g/mol. Its IUPAC name is 2-butyl-1-ethyl-3-[2-[ethyl(propan-2-yl)amino]ethyl]guanidine.

Molecular Properties

Compound Name2-butyl-1-ethyl-3-[2-[ethyl(propan-2-yl)amino]ethyl]guanidine
PubChem CID111150470
Molecular FormulaC14H32N4
Molecular Weight256.44 g/mol
Exact Mass256.26
IUPAC Name2-butyl-1-ethyl-3-[2-[ethyl(propan-2-yl)amino]ethyl]guanidine
SMILESCCCC/N=C(\NCC)NCCN(CC)C(C)C
InChIInChI=1S/C14H32N4/c1-6-9-10-16-14(15-7-2)17-11-12-18(8-3)13(4)5/h13H,6-12H2,1-5H3,(H2,15,16,17)
InChIKeySSONQEDSGFCMJZ-UHFFFAOYSA-N
XLogP2.07
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.44
LogP ≤ 52.07
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-butyl-1-ethyl-3-[2-[ethyl(propan-2-yl)amino]ethyl]guanidine;hydroiodide
CID 111150469
1-ethyl-2-[2-[ethyl(propan-2-yl)amino]ethyl]-3-(2-methoxyethyl)guanidine;hydroiodide
CID 110941681
1-[2-[di(propan-2-yl)amino]ethyl]-3-ethyl-2-propylguanidine;hydroiodide
CID 111225396
1-ethyl-3-[2-[ethyl(methyl)amino]ethyl]-2-hexylguanidine;hydroiodide
CID 111161396
1-ethyl-2-[2-[ethyl(propan-2-yl)amino]ethyl]-3-prop-2-ynylguanidine
CID 136922005
1-ethyl-2-[2-[ethyl(propan-2-yl)amino]ethyl]-3-propan-2-ylguanidine;hydroiodide
CID 111125096
tert-butyl N-[2-[[N-ethyl-N'-[2-[ethyl(propan-2-yl)amino]ethyl]carbamimidoyl]amino]ethyl]carbamate
CID 111883691
1-butyl-2-[3-(dimethylamino)propyl]-3-ethylguanidine
CID 111150960
1-butan-2-yl-3-ethyl-2-[2-[ethyl(propan-2-yl)amino]ethyl]guanidine
CID 110945266
1-[2-[di(propan-2-yl)amino]ethyl]-3-ethyl-2-(4-methylsulfanylbutyl)guanidine
CID 111627076
2-(3-butoxypropyl)-1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-ethylguanidine
CID 111240091
1-[2-[butyl(methyl)amino]ethyl]-3-ethyl-2-(3-methylbutyl)guanidine;hydroiodide
CID 111548332

Frequently Asked Questions

What is the IUPAC name of 2-butyl-1-ethyl-3-[2-[ethyl(propan-2-yl)amino]ethyl]guanidine?
The IUPAC name of 2-butyl-1-ethyl-3-[2-[ethyl(propan-2-yl)amino]ethyl]guanidine (CID 111150470) is 2-butyl-1-ethyl-3-[2-[ethyl(propan-2-yl)amino]ethyl]guanidine.
What is the SMILES notation for 2-butyl-1-ethyl-3-[2-[ethyl(propan-2-yl)amino]ethyl]guanidine?
The canonical SMILES for 2-butyl-1-ethyl-3-[2-[ethyl(propan-2-yl)amino]ethyl]guanidine is CCCC/N=C(\NCC)NCCN(CC)C(C)C.
What is the InChIKey of 2-butyl-1-ethyl-3-[2-[ethyl(propan-2-yl)amino]ethyl]guanidine?
The InChIKey is SSONQEDSGFCMJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N4/c1-6-9-10-16-14(15-7-2)17-11-12-18(8-3)13(4)5/h13H,6-12H2,1-5H3,(H2,15,16,17).
What are the key properties of 2-butyl-1-ethyl-3-[2-[ethyl(propan-2-yl)amino]ethyl]guanidine?
2-butyl-1-ethyl-3-[2-[ethyl(propan-2-yl)amino]ethyl]guanidine has a molecular weight of 256.44 g/mol, XLogP of 2.07, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-ethyl-3-[2-[ethyl(propan-2-yl)amino]ethyl]guanidine is sourced from PubChem (CID 111150470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).