2-butyl-1-ethyl-3-[2-[ethyl(propan-2-yl)amino]ethyl]guanidine;hydroiodide

C14H33IN4 — CID 111150469

IUPAC2-butyl-1-ethyl-3-[2-[ethyl(propan-2-yl)amino]ethyl]guanidine;hydroiodide
SMILESCCCC/N=C(\NCC)NCCN(CC)C(C)C.I
InChIInChI=1S/C14H32N4.HI/c1-6-9-10-16-14(15-7-2)17-11-12-18(8-3)13(4)5;/h13H,6-12H2,1-5H3,(H2,15,16,17);1H
InChIKeyIAWOOHGYQMNTLR-UHFFFAOYSA-N
MW384.35 g/mol
LogP2.69
Rot. Bonds9

About 2-butyl-1-ethyl-3-[2-[ethyl(propan-2-yl)amino]ethyl]guanidine;hydroiodide

2-butyl-1-ethyl-3-[2-[ethyl(propan-2-yl)amino]ethyl]guanidine;hydroiodide (PubChem CID 111150469) has the molecular formula C14H33IN4 and a molecular weight of 384.35 g/mol. Its IUPAC name is 2-butyl-1-ethyl-3-[2-[ethyl(propan-2-yl)amino]ethyl]guanidine;hydroiodide.

Molecular Properties

Compound Name2-butyl-1-ethyl-3-[2-[ethyl(propan-2-yl)amino]ethyl]guanidine;hydroiodide
PubChem CID111150469
Molecular FormulaC14H33IN4
Molecular Weight384.35 g/mol
Exact Mass384.17
IUPAC Name2-butyl-1-ethyl-3-[2-[ethyl(propan-2-yl)amino]ethyl]guanidine;hydroiodide
SMILESCCCC/N=C(\NCC)NCCN(CC)C(C)C.I
InChIInChI=1S/C14H32N4.HI/c1-6-9-10-16-14(15-7-2)17-11-12-18(8-3)13(4)5;/h13H,6-12H2,1-5H3,(H2,15,16,17);1H
InChIKeyIAWOOHGYQMNTLR-UHFFFAOYSA-N
XLogP2.69
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.35
LogP ≤ 52.69
H-Bond Donors ≤ 52
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-butyl-1-ethyl-3-[2-[ethyl(propan-2-yl)amino]ethyl]guanidine
CID 111150470
1-ethyl-2-[2-[ethyl(propan-2-yl)amino]ethyl]-3-(2-methoxyethyl)guanidine;hydroiodide
CID 110941681
1-[2-[di(propan-2-yl)amino]ethyl]-3-ethyl-2-propylguanidine;hydroiodide
CID 111225396
1-ethyl-3-[2-[ethyl(methyl)amino]ethyl]-2-hexylguanidine;hydroiodide
CID 111161396
1-ethyl-2-[2-[ethyl(propan-2-yl)amino]ethyl]-3-propan-2-ylguanidine;hydroiodide
CID 111125096
1-ethyl-2-[2-[ethyl(propan-2-yl)amino]ethyl]-3-prop-2-ynylguanidine
CID 136922005
1-[2-[butyl(methyl)amino]ethyl]-3-ethyl-2-(3-methylbutyl)guanidine;hydroiodide
CID 111548332
1-ethyl-3-[2-[ethyl(propan-2-yl)amino]ethyl]-2-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 111137818
tert-butyl N-[2-[[N-ethyl-N'-[2-[ethyl(propan-2-yl)amino]ethyl]carbamimidoyl]amino]ethyl]carbamate
CID 111883691
1-butyl-2-[3-(dimethylamino)propyl]-3-ethylguanidine
CID 111150960
N-[2-[(N-ethyl-N'-pentylcarbamimidoyl)amino]ethyl]-2-methylpropanamide;hydroiodide
CID 111130141
1-butan-2-yl-3-ethyl-2-[2-[ethyl(propan-2-yl)amino]ethyl]guanidine
CID 110945266

Frequently Asked Questions

What is the IUPAC name of 2-butyl-1-ethyl-3-[2-[ethyl(propan-2-yl)amino]ethyl]guanidine;hydroiodide?
The IUPAC name of 2-butyl-1-ethyl-3-[2-[ethyl(propan-2-yl)amino]ethyl]guanidine;hydroiodide (CID 111150469) is 2-butyl-1-ethyl-3-[2-[ethyl(propan-2-yl)amino]ethyl]guanidine;hydroiodide.
What is the SMILES notation for 2-butyl-1-ethyl-3-[2-[ethyl(propan-2-yl)amino]ethyl]guanidine;hydroiodide?
The canonical SMILES for 2-butyl-1-ethyl-3-[2-[ethyl(propan-2-yl)amino]ethyl]guanidine;hydroiodide is CCCC/N=C(\NCC)NCCN(CC)C(C)C.I.
What is the InChIKey of 2-butyl-1-ethyl-3-[2-[ethyl(propan-2-yl)amino]ethyl]guanidine;hydroiodide?
The InChIKey is IAWOOHGYQMNTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N4.HI/c1-6-9-10-16-14(15-7-2)17-11-12-18(8-3)13(4)5;/h13H,6-12H2,1-5H3,(H2,15,16,17);1H.
What are the key properties of 2-butyl-1-ethyl-3-[2-[ethyl(propan-2-yl)amino]ethyl]guanidine;hydroiodide?
2-butyl-1-ethyl-3-[2-[ethyl(propan-2-yl)amino]ethyl]guanidine;hydroiodide has a molecular weight of 384.35 g/mol, XLogP of 2.69, 9 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-ethyl-3-[2-[ethyl(propan-2-yl)amino]ethyl]guanidine;hydroiodide is sourced from PubChem (CID 111150469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).