1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[2-(2-ethylpiperidin-1-yl)ethyl]-2-methylguanidine;hydroiodide

C19H36IN5O — CID 111568658

IUPAC1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[2-(2-ethylpiperidin-1-yl)ethyl]-2-methylguanidine;hydroiodide
SMILESCCC1CCCCN1CCN/C(=N/C)NCC(c1ccco1)N(C)C.I
InChIInChI=1S/C19H35N5O.HI/c1-5-16-9-6-7-12-24(16)13-11-21-19(20-2)22-15-17(23(3)4)18-10-8-14-25-18;/h8,10,14,16-17H,5-7,9,11-13,15H2,1-4H3,(H2,20,21,22);1H
InChIKeyGREUZEQPRJDTOJ-UHFFFAOYSA-N
MW477.44 g/mol
LogP2.93
Rot. Bonds8

About 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[2-(2-ethylpiperidin-1-yl)ethyl]-2-methylguanidine;hydroiodide

1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[2-(2-ethylpiperidin-1-yl)ethyl]-2-methylguanidine;hydroiodide (PubChem CID 111568658) has the molecular formula C19H36IN5O and a molecular weight of 477.44 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[2-(2-ethylpiperidin-1-yl)ethyl]-2-methylguanidine;hydroiodide.

Molecular Properties

Compound Name1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[2-(2-ethylpiperidin-1-yl)ethyl]-2-methylguanidine;hydroiodide
PubChem CID111568658
Molecular FormulaC19H36IN5O
Molecular Weight477.44 g/mol
Exact Mass477.20
IUPAC Name1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[2-(2-ethylpiperidin-1-yl)ethyl]-2-methylguanidine;hydroiodide
SMILESCCC1CCCCN1CCN/C(=N/C)NCC(c1ccco1)N(C)C.I
InChIInChI=1S/C19H35N5O.HI/c1-5-16-9-6-7-12-24(16)13-11-21-19(20-2)22-15-17(23(3)4)18-10-8-14-25-18;/h8,10,14,16-17H,5-7,9,11-13,15H2,1-4H3,(H2,20,21,22);1H
InChIKeyGREUZEQPRJDTOJ-UHFFFAOYSA-N
XLogP2.93
TPSA56.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.44
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(2-ethylpiperidin-1-yl)ethyl]-3-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylguanidine;hydroiodide
CID 111568786
1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-[2-(2-ethylpiperidin-1-yl)ethyl]-2-methylguanidine
CID 111567609
1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methyl-3-(2-morpholin-4-ylethyl)guanidine;hydroiodide
CID 111027599
1-[[2-[(dimethylamino)methyl]phenyl]methyl]-3-[2-(2-ethylpiperidin-1-yl)ethyl]-2-methylguanidine
CID 111568351
1-(cyclopropylmethyl)-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylguanidine
CID 111869212
1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methyl-3-(3-methylbutyl)guanidine;hydroiodide
CID 110978510
1-[[3-(dimethylamino)phenyl]methyl]-3-[2-(2-ethylpiperidin-1-yl)ethyl]-2-methylguanidine;hydroiodide
CID 111568758
1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-hexyl-2-methylguanidine
CID 111161109
1-(cyclopropylmethyl)-3-[2-(2-ethylpiperidin-1-yl)ethyl]-2-methylguanidine;hydroiodide
CID 111568492
1-[3-(4-ethylpiperazin-1-yl)-2-methylpropyl]-3-[2-(2-ethylpiperidin-1-yl)ethyl]-2-methylguanidine;hydroiodide
CID 111568768
N-benzyl-3-[[N-[2-(2-ethylpiperidin-1-yl)ethyl]-N'-methylcarbamimidoyl]amino]-N-methylpropanamide
CID 111568195
1-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-[2-(2-ethylpiperidin-1-yl)ethyl]-2-methylguanidine
CID 111567883

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[2-(2-ethylpiperidin-1-yl)ethyl]-2-methylguanidine;hydroiodide?
The IUPAC name of 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[2-(2-ethylpiperidin-1-yl)ethyl]-2-methylguanidine;hydroiodide (CID 111568658) is 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[2-(2-ethylpiperidin-1-yl)ethyl]-2-methylguanidine;hydroiodide.
What is the SMILES notation for 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[2-(2-ethylpiperidin-1-yl)ethyl]-2-methylguanidine;hydroiodide?
The canonical SMILES for 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[2-(2-ethylpiperidin-1-yl)ethyl]-2-methylguanidine;hydroiodide is CCC1CCCCN1CCN/C(=N/C)NCC(c1ccco1)N(C)C.I.
What is the InChIKey of 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[2-(2-ethylpiperidin-1-yl)ethyl]-2-methylguanidine;hydroiodide?
The InChIKey is GREUZEQPRJDTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N5O.HI/c1-5-16-9-6-7-12-24(16)13-11-21-19(20-2)22-15-17(23(3)4)18-10-8-14-25-18;/h8,10,14,16-17H,5-7,9,11-13,15H2,1-4H3,(H2,20,21,22);1H.
What are the key properties of 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[2-(2-ethylpiperidin-1-yl)ethyl]-2-methylguanidine;hydroiodide?
1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[2-(2-ethylpiperidin-1-yl)ethyl]-2-methylguanidine;hydroiodide has a molecular weight of 477.44 g/mol, XLogP of 2.93, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-[2-(2-ethylpiperidin-1-yl)ethyl]-2-methylguanidine;hydroiodide is sourced from PubChem (CID 111568658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).