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

C15H32N4 — CID 110943562

IUPAC1-butan-2-yl-3-ethyl-2-[2-(2-methylpiperidin-1-yl)ethyl]guanidine
SMILESCCN/C(=N\CCN1CCCCC1C)NC(C)CC
InChIInChI=1S/C15H32N4/c1-5-13(3)18-15(16-6-2)17-10-12-19-11-8-7-9-14(19)4/h13-14H,5-12H2,1-4H3,(H2,16,17,18)
InChIKeyLQQLTCHDUDVEFS-UHFFFAOYSA-N
MW268.45 g/mol
LogP2.21
Rot. Bonds6

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

1-butan-2-yl-3-ethyl-2-[2-(2-methylpiperidin-1-yl)ethyl]guanidine (PubChem CID 110943562) has the molecular formula C15H32N4 and a molecular weight of 268.45 g/mol. Its IUPAC name is 1-butan-2-yl-3-ethyl-2-[2-(2-methylpiperidin-1-yl)ethyl]guanidine.

Molecular Properties

Compound Name1-butan-2-yl-3-ethyl-2-[2-(2-methylpiperidin-1-yl)ethyl]guanidine
PubChem CID110943562
Molecular FormulaC15H32N4
Molecular Weight268.45 g/mol
Exact Mass268.26
IUPAC Name1-butan-2-yl-3-ethyl-2-[2-(2-methylpiperidin-1-yl)ethyl]guanidine
SMILESCCN/C(=N\CCN1CCCCC1C)NC(C)CC
InChIInChI=1S/C15H32N4/c1-5-13(3)18-15(16-6-2)17-10-12-19-11-8-7-9-14(19)4/h13-14H,5-12H2,1-4H3,(H2,16,17,18)
InChIKeyLQQLTCHDUDVEFS-UHFFFAOYSA-N
XLogP2.21
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.45
LogP ≤ 52.21
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-butan-2-yl-3-ethyl-2-[3-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 110945459
1-[(2S)-butan-2-yl]-2-[2-[(2R)-2-methylpiperidin-1-yl]ethyl]guanidine
CID 124732340
1-ethyl-3-(2-methylcyclopropyl)-2-[2-(2-methylpiperidin-1-yl)ethyl]guanidine
CID 111961887
1-butan-2-yl-3-ethyl-2-[2-(3-methylpiperidin-1-yl)ethyl]guanidine;hydroiodide
CID 110943565
1-butan-2-yl-2-[2-[4-(cyclopentanecarbonyl)piperazin-1-yl]ethyl]-3-ethylguanidine
CID 111545345
1-(2-cyclopropylethyl)-3-ethyl-2-[3-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111604744
2-(3-ethoxypropyl)-1-ethyl-3-[2-(2-methylpiperidin-1-yl)ethyl]guanidine
CID 111224525
1-ethyl-2-[2-(2-methylpiperidin-1-yl)ethyl]-3-(3-methylsulfanylcyclopentyl)guanidine
CID 111530043
1-ethyl-3-(2-methoxyethyl)-2-[3-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 110941905
1-ethyl-2-(3-methoxypropyl)-3-[2-(2-methylpiperidin-1-yl)ethyl]guanidine;hydroiodide
CID 110973782
1-ethyl-3-(2-methoxyethyl)-2-[4-(2-methylpiperidin-1-yl)butyl]guanidine
CID 110940002
N-[2-[[(butan-2-ylamino)-(ethylamino)methylidene]amino]ethyl]cyclopropanecarboxamide
CID 110943948

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3-ethyl-2-[2-(2-methylpiperidin-1-yl)ethyl]guanidine?
The IUPAC name of 1-butan-2-yl-3-ethyl-2-[2-(2-methylpiperidin-1-yl)ethyl]guanidine (CID 110943562) is 1-butan-2-yl-3-ethyl-2-[2-(2-methylpiperidin-1-yl)ethyl]guanidine.
What is the SMILES notation for 1-butan-2-yl-3-ethyl-2-[2-(2-methylpiperidin-1-yl)ethyl]guanidine?
The canonical SMILES for 1-butan-2-yl-3-ethyl-2-[2-(2-methylpiperidin-1-yl)ethyl]guanidine is CCN/C(=N\CCN1CCCCC1C)NC(C)CC.
What is the InChIKey of 1-butan-2-yl-3-ethyl-2-[2-(2-methylpiperidin-1-yl)ethyl]guanidine?
The InChIKey is LQQLTCHDUDVEFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4/c1-5-13(3)18-15(16-6-2)17-10-12-19-11-8-7-9-14(19)4/h13-14H,5-12H2,1-4H3,(H2,16,17,18).
What are the key properties of 1-butan-2-yl-3-ethyl-2-[2-(2-methylpiperidin-1-yl)ethyl]guanidine?
1-butan-2-yl-3-ethyl-2-[2-(2-methylpiperidin-1-yl)ethyl]guanidine has a molecular weight of 268.45 g/mol, XLogP of 2.21, 6 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-(2-methylpiperidin-1-yl)ethyl]guanidine is sourced from PubChem (CID 110943562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).