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

C14H32N4 — CID 110945266

IUPAC1-butan-2-yl-3-ethyl-2-[2-[ethyl(propan-2-yl)amino]ethyl]guanidine
SMILESCCN/C(=N\CCN(CC)C(C)C)NC(C)CC
InChIInChI=1S/C14H32N4/c1-7-13(6)17-14(15-8-2)16-10-11-18(9-3)12(4)5/h12-13H,7-11H2,1-6H3,(H2,15,16,17)
InChIKeyXQGRWXIXLJKYED-UHFFFAOYSA-N
MW256.44 g/mol
LogP2.07
Rot. Bonds8

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

1-butan-2-yl-3-ethyl-2-[2-[ethyl(propan-2-yl)amino]ethyl]guanidine (PubChem CID 110945266) has the molecular formula C14H32N4 and a molecular weight of 256.44 g/mol. Its IUPAC name is 1-butan-2-yl-3-ethyl-2-[2-[ethyl(propan-2-yl)amino]ethyl]guanidine.

Molecular Properties

Compound Name1-butan-2-yl-3-ethyl-2-[2-[ethyl(propan-2-yl)amino]ethyl]guanidine
PubChem CID110945266
Molecular FormulaC14H32N4
Molecular Weight256.44 g/mol
Exact Mass256.26
IUPAC Name1-butan-2-yl-3-ethyl-2-[2-[ethyl(propan-2-yl)amino]ethyl]guanidine
SMILESCCN/C(=N\CCN(CC)C(C)C)NC(C)CC
InChIInChI=1S/C14H32N4/c1-7-13(6)17-14(15-8-2)16-10-11-18(9-3)12(4)5/h12-13H,7-11H2,1-6H3,(H2,15,16,17)
InChIKeyXQGRWXIXLJKYED-UHFFFAOYSA-N
XLogP2.07
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
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': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-2-[2-[ethyl(propan-2-yl)amino]ethyl]-3-propan-2-ylguanidine;hydroiodide
CID 111125096
1-butan-2-yl-2-[2-(diethylamino)propyl]-3-ethylguanidine
CID 110943508
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-(1-phenylethyl)guanidine
CID 110949496
1-ethyl-2-[2-[ethyl(propan-2-yl)amino]ethyl]-3-(2-methoxyethyl)guanidine;hydroiodide
CID 110941681
2-butyl-1-ethyl-3-[2-[ethyl(propan-2-yl)amino]ethyl]guanidine
CID 111150470
tert-butyl N-[2-[[N-ethyl-N'-[2-[ethyl(propan-2-yl)amino]ethyl]carbamimidoyl]amino]ethyl]carbamate
CID 111883691
2-butyl-1-ethyl-3-[2-[ethyl(propan-2-yl)amino]ethyl]guanidine;hydroiodide
CID 111150469
1-ethyl-2-[2-[ethyl(methyl)amino]ethyl]-3-(1-methoxypropan-2-yl)guanidine
CID 111237729
1-butan-2-yl-3-ethyl-2-(3-methoxypropyl)guanidine;hydroiodide
CID 110944617
1-butan-2-yl-3-ethyl-2-[3-(methanesulfonamido)propyl]guanidine
CID 110944266
1-butan-2-yl-3-ethyl-2-[3-(2-methylpropoxy)propyl]guanidine
CID 110945780

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3-ethyl-2-[2-[ethyl(propan-2-yl)amino]ethyl]guanidine?
The IUPAC name of 1-butan-2-yl-3-ethyl-2-[2-[ethyl(propan-2-yl)amino]ethyl]guanidine (CID 110945266) is 1-butan-2-yl-3-ethyl-2-[2-[ethyl(propan-2-yl)amino]ethyl]guanidine.
What is the SMILES notation for 1-butan-2-yl-3-ethyl-2-[2-[ethyl(propan-2-yl)amino]ethyl]guanidine?
The canonical SMILES for 1-butan-2-yl-3-ethyl-2-[2-[ethyl(propan-2-yl)amino]ethyl]guanidine is CCN/C(=N\CCN(CC)C(C)C)NC(C)CC.
What is the InChIKey of 1-butan-2-yl-3-ethyl-2-[2-[ethyl(propan-2-yl)amino]ethyl]guanidine?
The InChIKey is XQGRWXIXLJKYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N4/c1-7-13(6)17-14(15-8-2)16-10-11-18(9-3)12(4)5/h12-13H,7-11H2,1-6H3,(H2,15,16,17).
What are the key properties of 1-butan-2-yl-3-ethyl-2-[2-[ethyl(propan-2-yl)amino]ethyl]guanidine?
1-butan-2-yl-3-ethyl-2-[2-[ethyl(propan-2-yl)amino]ethyl]guanidine has a molecular weight of 256.44 g/mol, XLogP of 2.07, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-3-ethyl-2-[2-[ethyl(propan-2-yl)amino]ethyl]guanidine is sourced from PubChem (CID 110945266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).