1-tert-butyl-3-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-methylguanidine;hydroiodide

C14H26IN5 — CID 110964708

IUPAC1-tert-butyl-3-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-methylguanidine;hydroiodide
SMILESC/N=C(/NCc1cccnc1N(C)C)NC(C)(C)C.I
InChIInChI=1S/C14H25N5.HI/c1-14(2,3)18-13(15-4)17-10-11-8-7-9-16-12(11)19(5)6;/h7-9H,10H2,1-6H3,(H2,15,17,18);1H
InChIKeyQFRCRMHLDPBPSP-UHFFFAOYSA-N
MW391.30 g/mol
LogP2.23
Rot. Bonds3

About 1-tert-butyl-3-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-methylguanidine;hydroiodide

1-tert-butyl-3-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-methylguanidine;hydroiodide (PubChem CID 110964708) has the molecular formula C14H26IN5 and a molecular weight of 391.30 g/mol. Its IUPAC name is 1-tert-butyl-3-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-methylguanidine;hydroiodide.

Molecular Properties

Compound Name1-tert-butyl-3-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-methylguanidine;hydroiodide
PubChem CID110964708
Molecular FormulaC14H26IN5
Molecular Weight391.30 g/mol
Exact Mass391.12
IUPAC Name1-tert-butyl-3-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-methylguanidine;hydroiodide
SMILESC/N=C(/NCc1cccnc1N(C)C)NC(C)(C)C.I
InChIInChI=1S/C14H25N5.HI/c1-14(2,3)18-13(15-4)17-10-11-8-7-9-16-12(11)19(5)6;/h7-9H,10H2,1-6H3,(H2,15,17,18);1H
InChIKeyQFRCRMHLDPBPSP-UHFFFAOYSA-N
XLogP2.23
TPSA52.55 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.30
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(dimethylamino)-3-pyridinyl]methyl]-2-methyl-3-prop-2-enylguanidine
CID 110980213
1-[1-(3,4-diethoxyphenyl)ethyl]-3-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-methylguanidine;hydroiodide
CID 111297682
1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-[3-(N-ethylanilino)propyl]-2-methylguanidine;hydroiodide
CID 111390300
1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-(3-ethoxy-4-methylpentyl)-2-methylguanidine;hydroiodide
CID 111718329
1-tert-butyl-3-[[2-[2-(dimethylamino)ethoxy]phenyl]methyl]-2-methylguanidine;hydroiodide
CID 110964844
1-tert-butyl-3-[[2-(methoxymethyl)phenyl]methyl]-2-methylguanidine;hydroiodide
CID 110964518
1-[(2-chlorophenyl)methyl]-3-[[2-(dimethylamino)-3-pyridinyl]methyl]-1,2-dimethylguanidine;hydroiodide
CID 111294464
1-[(4-chlorophenyl)methyl]-3-[[2-(dimethylamino)-3-pyridinyl]methyl]-1,2-dimethylguanidine;hydroiodide
CID 111293586
3-[(2,2-dimethylpropylamino)methyl]-N,N-dimethylpyridin-2-amine
CID 115607162
1-[[2-(dimethylamino)-3-pyridinyl]methyl]-3-[2-(N-ethyl-3-methylanilino)ethyl]-2-methylguanidine
CID 111330502
1-tert-butyl-2-methyl-3-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methyl]guanidine
CID 111493736
N-tert-butyl-2-[[N-[(2-ethoxy-3-pyridinyl)methyl]-N'-methylcarbamimidoyl]amino]acetamide;hydroiodide
CID 75421235

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-methylguanidine;hydroiodide?
The IUPAC name of 1-tert-butyl-3-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-methylguanidine;hydroiodide (CID 110964708) is 1-tert-butyl-3-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-methylguanidine;hydroiodide.
What is the SMILES notation for 1-tert-butyl-3-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-methylguanidine;hydroiodide?
The canonical SMILES for 1-tert-butyl-3-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-methylguanidine;hydroiodide is C/N=C(/NCc1cccnc1N(C)C)NC(C)(C)C.I.
What is the InChIKey of 1-tert-butyl-3-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-methylguanidine;hydroiodide?
The InChIKey is QFRCRMHLDPBPSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5.HI/c1-14(2,3)18-13(15-4)17-10-11-8-7-9-16-12(11)19(5)6;/h7-9H,10H2,1-6H3,(H2,15,17,18);1H.
What are the key properties of 1-tert-butyl-3-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-methylguanidine;hydroiodide?
1-tert-butyl-3-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-methylguanidine;hydroiodide has a molecular weight of 391.30 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-[[2-(dimethylamino)-3-pyridinyl]methyl]-2-methylguanidine;hydroiodide is sourced from PubChem (CID 110964708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).