2-[2-(dimethylamino)-3-ethylpentyl]-1-(2-methylprop-2-enyl)guanidine;hydroiodide

C14H31IN4 — CID 136924659

IUPAC2-[2-(dimethylamino)-3-ethylpentyl]-1-(2-methylprop-2-enyl)guanidine;hydroiodide
SMILESC=C(C)CN/C(N)=N/CC(C(CC)CC)N(C)C.I
InChIInChI=1S/C14H30N4.HI/c1-7-12(8-2)13(18(5)6)10-17-14(15)16-9-11(3)4;/h12-13H,3,7-10H2,1-2,4-6H3,(H3,15,16,17);1H
InChIKeyQPSZMZZVCLTTFN-UHFFFAOYSA-N
MW382.33 g/mol
LogP2.45
Rot. Bonds8

About 2-[2-(dimethylamino)-3-ethylpentyl]-1-(2-methylprop-2-enyl)guanidine;hydroiodide

2-[2-(dimethylamino)-3-ethylpentyl]-1-(2-methylprop-2-enyl)guanidine;hydroiodide (PubChem CID 136924659) has the molecular formula C14H31IN4 and a molecular weight of 382.33 g/mol. Its IUPAC name is 2-[2-(dimethylamino)-3-ethylpentyl]-1-(2-methylprop-2-enyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-(dimethylamino)-3-ethylpentyl]-1-(2-methylprop-2-enyl)guanidine;hydroiodide
PubChem CID136924659
Molecular FormulaC14H31IN4
Molecular Weight382.33 g/mol
Exact Mass382.16
IUPAC Name2-[2-(dimethylamino)-3-ethylpentyl]-1-(2-methylprop-2-enyl)guanidine;hydroiodide
SMILESC=C(C)CN/C(N)=N/CC(C(CC)CC)N(C)C.I
InChIInChI=1S/C14H30N4.HI/c1-7-12(8-2)13(18(5)6)10-17-14(15)16-9-11(3)4;/h12-13H,3,7-10H2,1-2,4-6H3,(H3,15,16,17);1H
InChIKeyQPSZMZZVCLTTFN-UHFFFAOYSA-N
XLogP2.45
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.33
LogP ≤ 52.45
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-1-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 136924607
2-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-(2-methylprop-2-enyl)guanidine
CID 136924041
2-[3-(dimethylamino)-2,2-dimethylpropyl]-1-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 111025944
2-[2-(dimethylamino)-3-ethylpentyl]-1-ethyl-3-propan-2-ylguanidine;hydroiodide
CID 111126713
1-cyclopropyl-2-[2-(dimethylamino)-3-ethylpentyl]-1-methylguanidine;hydroiodide
CID 110029751
2-[2-(dimethylamino)-3-ethylpentyl]-1-(2-ethoxyethyl)-3-ethylguanidine;hydroiodide
CID 111897090
2-(2-hydroxy-2-pyridin-4-ylethyl)-1-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 136726358
2-[2-(2-fluorophenoxy)butyl]-1-(2-methylprop-2-enyl)guanidine
CID 136921204
2-[2-(4-fluorophenyl)-2-methoxyethyl]-1-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 136926778
2-[2-(3,5-dimethoxyphenyl)-2-hydroxyethyl]-1-(2-methylprop-2-enyl)guanidine
CID 136922434
1-(2-methylprop-2-enyl)-2-(2-phenylpropyl)guanidine
CID 136924616
2-[2-hydroxy-3-(3-methylphenoxy)propyl]-1-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 136921177

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)-3-ethylpentyl]-1-(2-methylprop-2-enyl)guanidine;hydroiodide?
The IUPAC name of 2-[2-(dimethylamino)-3-ethylpentyl]-1-(2-methylprop-2-enyl)guanidine;hydroiodide (CID 136924659) is 2-[2-(dimethylamino)-3-ethylpentyl]-1-(2-methylprop-2-enyl)guanidine;hydroiodide.
What is the SMILES notation for 2-[2-(dimethylamino)-3-ethylpentyl]-1-(2-methylprop-2-enyl)guanidine;hydroiodide?
The canonical SMILES for 2-[2-(dimethylamino)-3-ethylpentyl]-1-(2-methylprop-2-enyl)guanidine;hydroiodide is C=C(C)CN/C(N)=N/CC(C(CC)CC)N(C)C.I.
What is the InChIKey of 2-[2-(dimethylamino)-3-ethylpentyl]-1-(2-methylprop-2-enyl)guanidine;hydroiodide?
The InChIKey is QPSZMZZVCLTTFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4.HI/c1-7-12(8-2)13(18(5)6)10-17-14(15)16-9-11(3)4;/h12-13H,3,7-10H2,1-2,4-6H3,(H3,15,16,17);1H.
What are the key properties of 2-[2-(dimethylamino)-3-ethylpentyl]-1-(2-methylprop-2-enyl)guanidine;hydroiodide?
2-[2-(dimethylamino)-3-ethylpentyl]-1-(2-methylprop-2-enyl)guanidine;hydroiodide has a molecular weight of 382.33 g/mol, XLogP of 2.45, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)-3-ethylpentyl]-1-(2-methylprop-2-enyl)guanidine;hydroiodide is sourced from PubChem (CID 136924659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).