1-(3-anilinopropyl)-2-(cyclopropylmethyl)-3-ethylguanidine;hydroiodide

C16H27IN4 — CID 111868451

IUPAC1-(3-anilinopropyl)-2-(cyclopropylmethyl)-3-ethylguanidine;hydroiodide
SMILESCCN/C(=N\CC1CC1)NCCCNc1ccccc1.I
InChIInChI=1S/C16H26N4.HI/c1-2-17-16(20-13-14-9-10-14)19-12-6-11-18-15-7-4-3-5-8-15;/h3-5,7-8,14,18H,2,6,9-13H2,1H3,(H2,17,19,20);1H
InChIKeyHSMKRCUTZUVYLE-UHFFFAOYSA-N
MW402.32 g/mol
LogP3.07
Rot. Bonds8

About 1-(3-anilinopropyl)-2-(cyclopropylmethyl)-3-ethylguanidine;hydroiodide

1-(3-anilinopropyl)-2-(cyclopropylmethyl)-3-ethylguanidine;hydroiodide (PubChem CID 111868451) has the molecular formula C16H27IN4 and a molecular weight of 402.32 g/mol. Its IUPAC name is 1-(3-anilinopropyl)-2-(cyclopropylmethyl)-3-ethylguanidine;hydroiodide.

Molecular Properties

Compound Name1-(3-anilinopropyl)-2-(cyclopropylmethyl)-3-ethylguanidine;hydroiodide
PubChem CID111868451
Molecular FormulaC16H27IN4
Molecular Weight402.32 g/mol
Exact Mass402.13
IUPAC Name1-(3-anilinopropyl)-2-(cyclopropylmethyl)-3-ethylguanidine;hydroiodide
SMILESCCN/C(=N\CC1CC1)NCCCNc1ccccc1.I
InChIInChI=1S/C16H26N4.HI/c1-2-17-16(20-13-14-9-10-14)19-12-6-11-18-15-7-4-3-5-8-15;/h3-5,7-8,14,18H,2,6,9-13H2,1H3,(H2,17,19,20);1H
InChIKeyHSMKRCUTZUVYLE-UHFFFAOYSA-N
XLogP3.07
TPSA48.45 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.32
LogP ≤ 53.07
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-(cyclopropylmethyl)-1-ethyl-3-(2-phenylethyl)guanidine;hydroiodide
CID 111134664
2-(cyclopropylmethyl)-1-ethyl-3-pentylguanidine;hydroiodide
CID 111128884
1-[4-(4-benzylpiperazin-1-yl)butyl]-2-(cyclopropylmethyl)-3-ethylguanidine;hydroiodide
CID 111870678
1-(3-anilinopropyl)-3-ethyl-2-(3-hydroxy-2-phenylpropyl)guanidine;hydroiodide
CID 109410366
2-(3-anilinopropyl)-1-ethyl-3-[3-(oxan-4-ylmethoxy)propyl]guanidine;hydroiodide
CID 111644667
4-bromo-N-[3-[[N'-(cyclopropylmethyl)-N-ethylcarbamimidoyl]amino]propyl]benzamide;hydroiodide
CID 111868815
1-(3-anilinopropyl)-3-ethyl-2-(thiophen-3-ylmethyl)guanidine;hydroiodide
CID 111939426
2-[[(3-anilinopropylamino)-(ethylamino)methylidene]amino]-N-tert-butylacetamide
CID 111383862
tert-butyl N-[3-[[(3-anilinopropylamino)-(ethylamino)methylidene]amino]propyl]carbamate;hydroiodide
CID 111886488
2-(cyclopropylmethyl)-1-ethyl-3-[3-(ethylsulfonylamino)propyl]guanidine;hydroiodide
CID 111869847
2-(cyclopropylmethyl)-1-ethyl-3-[3-(4-fluorophenyl)sulfanylpropyl]guanidine
CID 111310992
1-(3-anilinopropyl)-2-(2,2-diethyl-4-hydroxybutyl)-3-ethylguanidine
CID 111716686

Frequently Asked Questions

What is the IUPAC name of 1-(3-anilinopropyl)-2-(cyclopropylmethyl)-3-ethylguanidine;hydroiodide?
The IUPAC name of 1-(3-anilinopropyl)-2-(cyclopropylmethyl)-3-ethylguanidine;hydroiodide (CID 111868451) is 1-(3-anilinopropyl)-2-(cyclopropylmethyl)-3-ethylguanidine;hydroiodide.
What is the SMILES notation for 1-(3-anilinopropyl)-2-(cyclopropylmethyl)-3-ethylguanidine;hydroiodide?
The canonical SMILES for 1-(3-anilinopropyl)-2-(cyclopropylmethyl)-3-ethylguanidine;hydroiodide is CCN/C(=N\CC1CC1)NCCCNc1ccccc1.I.
What is the InChIKey of 1-(3-anilinopropyl)-2-(cyclopropylmethyl)-3-ethylguanidine;hydroiodide?
The InChIKey is HSMKRCUTZUVYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4.HI/c1-2-17-16(20-13-14-9-10-14)19-12-6-11-18-15-7-4-3-5-8-15;/h3-5,7-8,14,18H,2,6,9-13H2,1H3,(H2,17,19,20);1H.
What are the key properties of 1-(3-anilinopropyl)-2-(cyclopropylmethyl)-3-ethylguanidine;hydroiodide?
1-(3-anilinopropyl)-2-(cyclopropylmethyl)-3-ethylguanidine;hydroiodide has a molecular weight of 402.32 g/mol, XLogP of 3.07, 8 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-anilinopropyl)-2-(cyclopropylmethyl)-3-ethylguanidine;hydroiodide is sourced from PubChem (CID 111868451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).