1-butan-2-yl-3-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methylguanidine;hydroiodide

C13H29IN4 — CID 110945267

IUPAC1-butan-2-yl-3-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methylguanidine;hydroiodide
SMILESCCC(C)N/C(=N\C)NCCN(CC)C1CC1.I
InChIInChI=1S/C13H28N4.HI/c1-5-11(3)16-13(14-4)15-9-10-17(6-2)12-7-8-12;/h11-12H,5-10H2,1-4H3,(H2,14,15,16);1H
InChIKeyXCRCSUDWWXBICJ-UHFFFAOYSA-N
MW368.31 g/mol
LogP2.05
Rot. Bonds7

About 1-butan-2-yl-3-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methylguanidine;hydroiodide

1-butan-2-yl-3-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methylguanidine;hydroiodide (PubChem CID 110945267) has the molecular formula C13H29IN4 and a molecular weight of 368.31 g/mol. Its IUPAC name is 1-butan-2-yl-3-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methylguanidine;hydroiodide.

Molecular Properties

Compound Name1-butan-2-yl-3-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methylguanidine;hydroiodide
PubChem CID110945267
Molecular FormulaC13H29IN4
Molecular Weight368.31 g/mol
Exact Mass368.14
IUPAC Name1-butan-2-yl-3-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methylguanidine;hydroiodide
SMILESCCC(C)N/C(=N\C)NCCN(CC)C1CC1.I
InChIInChI=1S/C13H28N4.HI/c1-5-11(3)16-13(14-4)15-9-10-17(6-2)12-7-8-12;/h11-12H,5-10H2,1-4H3,(H2,14,15,16);1H
InChIKeyXCRCSUDWWXBICJ-UHFFFAOYSA-N
XLogP2.05
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.31
LogP ≤ 52.05
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methyl-3-(3-methylbutyl)guanidine
CID 110978705
1-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methyl-3-(4-phenylbutan-2-yl)guanidine
CID 111172033
1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-(cyclopropylmethyl)-2-methylguanidine
CID 111869610
1-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methyl-3-(3-methyl-2-morpholin-4-ylbutyl)guanidine
CID 111931998
1-butan-2-yl-3-[2-[cyclopropyl(methyl)amino]propyl]-2-methylguanidine;hydroiodide
CID 110945531
1-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-3-[5-(diethylamino)pentan-2-yl]-2-methylguanidine
CID 110999621
1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-[3-(2-methoxyethoxy)propyl]-2-methylguanidine;hydroiodide
CID 111405610
1-butan-2-yl-3-(3-cyclopentylpropyl)-2-methylguanidine;hydroiodide
CID 110944229
1-butan-2-yl-3-[3-(dipropylamino)propyl]-2-methylguanidine;hydroiodide
CID 110946325
1-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methyl-3-(2-methyl-2-piperidin-1-ylpropyl)guanidine
CID 111321306
1-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methyl-3-(2-phenylethyl)guanidine
CID 111134879
1-butan-2-yl-2-methyl-3-[4-(4-methylpiperidin-1-yl)butyl]guanidine;hydroiodide
CID 110943787

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methylguanidine;hydroiodide?
The IUPAC name of 1-butan-2-yl-3-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methylguanidine;hydroiodide (CID 110945267) is 1-butan-2-yl-3-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methylguanidine;hydroiodide.
What is the SMILES notation for 1-butan-2-yl-3-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methylguanidine;hydroiodide?
The canonical SMILES for 1-butan-2-yl-3-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methylguanidine;hydroiodide is CCC(C)N/C(=N\C)NCCN(CC)C1CC1.I.
What is the InChIKey of 1-butan-2-yl-3-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methylguanidine;hydroiodide?
The InChIKey is XCRCSUDWWXBICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4.HI/c1-5-11(3)16-13(14-4)15-9-10-17(6-2)12-7-8-12;/h11-12H,5-10H2,1-4H3,(H2,14,15,16);1H.
What are the key properties of 1-butan-2-yl-3-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methylguanidine;hydroiodide?
1-butan-2-yl-3-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methylguanidine;hydroiodide has a molecular weight of 368.31 g/mol, XLogP of 2.05, 7 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-[2-[cyclopropyl(ethyl)amino]ethyl]-2-methylguanidine;hydroiodide is sourced from PubChem (CID 110945267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).