1-[2-[di(propan-2-yl)amino]ethyl]-3-ethyl-2-(1H-indol-2-ylmethyl)guanidine

C20H33N5 — CID 111247251

IUPAC1-[2-[di(propan-2-yl)amino]ethyl]-3-ethyl-2-(1H-indol-2-ylmethyl)guanidine
SMILESCCN/C(=N\Cc1cc2ccccc2[nH]1)NCCN(C(C)C)C(C)C
InChIInChI=1S/C20H33N5/c1-6-21-20(22-11-12-25(15(2)3)16(4)5)23-14-18-13-17-9-7-8-10-19(17)24-18/h7-10,13,15-16,24H,6,11-12,14H2,1-5H3,(H2,21,22,23)
InChIKeyKPHGTTHGEOQKDR-UHFFFAOYSA-N
MW343.52 g/mol
LogP3.34
Rot. Bonds8

About 1-[2-[di(propan-2-yl)amino]ethyl]-3-ethyl-2-(1H-indol-2-ylmethyl)guanidine

1-[2-[di(propan-2-yl)amino]ethyl]-3-ethyl-2-(1H-indol-2-ylmethyl)guanidine (PubChem CID 111247251) has the molecular formula C20H33N5 and a molecular weight of 343.52 g/mol. Its IUPAC name is 1-[2-[di(propan-2-yl)amino]ethyl]-3-ethyl-2-(1H-indol-2-ylmethyl)guanidine.

Molecular Properties

Compound Name1-[2-[di(propan-2-yl)amino]ethyl]-3-ethyl-2-(1H-indol-2-ylmethyl)guanidine
PubChem CID111247251
Molecular FormulaC20H33N5
Molecular Weight343.52 g/mol
Exact Mass343.27
IUPAC Name1-[2-[di(propan-2-yl)amino]ethyl]-3-ethyl-2-(1H-indol-2-ylmethyl)guanidine
SMILESCCN/C(=N\Cc1cc2ccccc2[nH]1)NCCN(C(C)C)C(C)C
InChIInChI=1S/C20H33N5/c1-6-21-20(22-11-12-25(15(2)3)16(4)5)23-14-18-13-17-9-7-8-10-19(17)24-18/h7-10,13,15-16,24H,6,11-12,14H2,1-5H3,(H2,21,22,23)
InChIKeyKPHGTTHGEOQKDR-UHFFFAOYSA-N
XLogP3.34
TPSA55.45 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.52
LogP ≤ 53.34
H-Bond Donors ≤ 53
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-(1H-indol-2-ylmethyl)-3-propan-2-ylguanidine
CID 111126946
1-ethyl-2-(1H-indol-2-ylmethyl)-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109473466
1-ethyl-2-(1H-indol-2-ylmethyl)-3-(1-phenylethyl)guanidine;hydroiodide
CID 110948477
1-[5-(diethylamino)pentan-2-yl]-3-ethyl-2-(1H-indol-2-ylmethyl)guanidine;hydroiodide
CID 110998394
2-[[N-ethyl-N'-(1H-indol-2-ylmethyl)carbamimidoyl]amino]-N,N-dimethylacetamide;hydroiodide
CID 111365316
1-ethyl-2-(1H-indol-2-ylmethyl)-3-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111234994
1-ethyl-2-(1H-indol-2-ylmethyl)-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine
CID 111933082
1-ethyl-2-(1H-indol-2-ylmethyl)-3-(3-methyl-2-morpholin-4-ylbutyl)guanidine
CID 111930820
1-cyclopentyl-3-ethyl-2-(1H-indol-2-ylmethyl)guanidine
CID 110990559
1-[2-[di(propan-2-yl)amino]ethyl]-3-ethyl-2-[(5-phenyl-1H-imidazol-2-yl)methyl]guanidine;hydroiodide
CID 111248428
1-ethyl-2-(1H-indol-2-ylmethyl)-3-[3-(4-methylpiperidin-1-yl)propyl]guanidine
CID 111387575
N-tert-butyl-2-[[N-ethyl-N'-(1H-indol-2-ylmethyl)carbamimidoyl]amino]acetamide;hydroiodide
CID 111384718

Frequently Asked Questions

What is the IUPAC name of 1-[2-[di(propan-2-yl)amino]ethyl]-3-ethyl-2-(1H-indol-2-ylmethyl)guanidine?
The IUPAC name of 1-[2-[di(propan-2-yl)amino]ethyl]-3-ethyl-2-(1H-indol-2-ylmethyl)guanidine (CID 111247251) is 1-[2-[di(propan-2-yl)amino]ethyl]-3-ethyl-2-(1H-indol-2-ylmethyl)guanidine.
What is the SMILES notation for 1-[2-[di(propan-2-yl)amino]ethyl]-3-ethyl-2-(1H-indol-2-ylmethyl)guanidine?
The canonical SMILES for 1-[2-[di(propan-2-yl)amino]ethyl]-3-ethyl-2-(1H-indol-2-ylmethyl)guanidine is CCN/C(=N\Cc1cc2ccccc2[nH]1)NCCN(C(C)C)C(C)C.
What is the InChIKey of 1-[2-[di(propan-2-yl)amino]ethyl]-3-ethyl-2-(1H-indol-2-ylmethyl)guanidine?
The InChIKey is KPHGTTHGEOQKDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N5/c1-6-21-20(22-11-12-25(15(2)3)16(4)5)23-14-18-13-17-9-7-8-10-19(17)24-18/h7-10,13,15-16,24H,6,11-12,14H2,1-5H3,(H2,21,22,23).
What are the key properties of 1-[2-[di(propan-2-yl)amino]ethyl]-3-ethyl-2-(1H-indol-2-ylmethyl)guanidine?
1-[2-[di(propan-2-yl)amino]ethyl]-3-ethyl-2-(1H-indol-2-ylmethyl)guanidine has a molecular weight of 343.52 g/mol, XLogP of 3.34, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[di(propan-2-yl)amino]ethyl]-3-ethyl-2-(1H-indol-2-ylmethyl)guanidine is sourced from PubChem (CID 111247251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).