1-[2-(tert-butylamino)ethyl]-3-ethyl-2-hexylguanidine

C15H34N4 — CID 111761467

IUPAC1-[2-(tert-butylamino)ethyl]-3-ethyl-2-hexylguanidine
SMILESCCCCCC/N=C(\NCC)NCCNC(C)(C)C
InChIInChI=1S/C15H34N4/c1-6-8-9-10-11-17-14(16-7-2)18-12-13-19-15(3,4)5/h19H,6-13H2,1-5H3,(H2,16,17,18)
InChIKeyANZHXBOVYCUGDS-UHFFFAOYSA-N
MW270.46 g/mol
LogP2.51
Rot. Bonds9

About 1-[2-(tert-butylamino)ethyl]-3-ethyl-2-hexylguanidine

1-[2-(tert-butylamino)ethyl]-3-ethyl-2-hexylguanidine (PubChem CID 111761467) has the molecular formula C15H34N4 and a molecular weight of 270.46 g/mol. Its IUPAC name is 1-[2-(tert-butylamino)ethyl]-3-ethyl-2-hexylguanidine.

Molecular Properties

Compound Name1-[2-(tert-butylamino)ethyl]-3-ethyl-2-hexylguanidine
PubChem CID111761467
Molecular FormulaC15H34N4
Molecular Weight270.46 g/mol
Exact Mass270.28
IUPAC Name1-[2-(tert-butylamino)ethyl]-3-ethyl-2-hexylguanidine
SMILESCCCCCC/N=C(\NCC)NCCNC(C)(C)C
InChIInChI=1S/C15H34N4/c1-6-8-9-10-11-17-14(16-7-2)18-12-13-19-15(3,4)5/h19H,6-13H2,1-5H3,(H2,16,17,18)
InChIKeyANZHXBOVYCUGDS-UHFFFAOYSA-N
XLogP2.51
TPSA48.45 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.51
H-Bond Donors ≤ 53
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

1-[2-(tert-butylamino)ethyl]-3-ethyl-2-pentylguanidine
CID 111760661
tert-butyl N-[2-[(N-ethyl-N'-pentylcarbamimidoyl)amino]ethyl]carbamate;hydroiodide
CID 111129883
1,2,3-trihexylguanidine
CID 173050322
1-(2-tert-butylsulfonylethyl)-3-ethyl-2-pentylguanidine;hydroiodide
CID 111573568
N-[2-[(N-ethyl-N'-pentylcarbamimidoyl)amino]ethyl]-2-methylpropanamide;hydroiodide
CID 111130141
1-ethyl-3-[2-[ethyl(methyl)amino]ethyl]-2-hexylguanidine;hydroiodide
CID 111161396
1-[7-(dimethylamino)heptyl]-3-ethyl-2-pentylguanidine;hydroiodide
CID 111129406
tert-butyl N-[3-[[butylamino(ethylamino)methylidene]amino]propyl]carbamate
CID 111150576
2-butyl-1-[2-(tert-butylamino)ethyl]guanidine;hydroiodide
CID 111803437
2-(3-cyclopropylpropyl)-1-ethyl-3-pentylguanidine
CID 111792061
1-ethyl-2-hexyl-3-[2-[methyl(2,2,2-trifluoroethyl)amino]ethyl]guanidine;hydroiodide
CID 111835300
methyl 3-[(N-ethyl-N'-pentylcarbamimidoyl)amino]propanoate;hydroiodide
CID 111128892

Frequently Asked Questions

What is the IUPAC name of 1-[2-(tert-butylamino)ethyl]-3-ethyl-2-hexylguanidine?
The IUPAC name of 1-[2-(tert-butylamino)ethyl]-3-ethyl-2-hexylguanidine (CID 111761467) is 1-[2-(tert-butylamino)ethyl]-3-ethyl-2-hexylguanidine.
What is the SMILES notation for 1-[2-(tert-butylamino)ethyl]-3-ethyl-2-hexylguanidine?
The canonical SMILES for 1-[2-(tert-butylamino)ethyl]-3-ethyl-2-hexylguanidine is CCCCCC/N=C(\NCC)NCCNC(C)(C)C.
What is the InChIKey of 1-[2-(tert-butylamino)ethyl]-3-ethyl-2-hexylguanidine?
The InChIKey is ANZHXBOVYCUGDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N4/c1-6-8-9-10-11-17-14(16-7-2)18-12-13-19-15(3,4)5/h19H,6-13H2,1-5H3,(H2,16,17,18).
What are the key properties of 1-[2-(tert-butylamino)ethyl]-3-ethyl-2-hexylguanidine?
1-[2-(tert-butylamino)ethyl]-3-ethyl-2-hexylguanidine has a molecular weight of 270.46 g/mol, XLogP of 2.51, 9 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(tert-butylamino)ethyl]-3-ethyl-2-hexylguanidine is sourced from PubChem (CID 111761467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).