1-cyclopropyl-2-[2-(dimethylamino)-3-ethylpentyl]-1-methylguanidine;hydroiodide

C14H31IN4 — CID 110029751

IUPAC1-cyclopropyl-2-[2-(dimethylamino)-3-ethylpentyl]-1-methylguanidine;hydroiodide
SMILESCCC(CC)C(C/N=C(\N)N(C)C1CC1)N(C)C.I
InChIInChI=1S/C14H30N4.HI/c1-6-11(7-2)13(17(3)4)10-16-14(15)18(5)12-8-9-12;/h11-13H,6-10H2,1-5H3,(H2,15,16);1H
InChIKeyOFCZNPQNEVEQDK-UHFFFAOYSA-N
MW382.33 g/mol
LogP2.38
Rot. Bonds7

About 1-cyclopropyl-2-[2-(dimethylamino)-3-ethylpentyl]-1-methylguanidine;hydroiodide

1-cyclopropyl-2-[2-(dimethylamino)-3-ethylpentyl]-1-methylguanidine;hydroiodide (PubChem CID 110029751) has the molecular formula C14H31IN4 and a molecular weight of 382.33 g/mol. Its IUPAC name is 1-cyclopropyl-2-[2-(dimethylamino)-3-ethylpentyl]-1-methylguanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclopropyl-2-[2-(dimethylamino)-3-ethylpentyl]-1-methylguanidine;hydroiodide
PubChem CID110029751
Molecular FormulaC14H31IN4
Molecular Weight382.33 g/mol
Exact Mass382.16
IUPAC Name1-cyclopropyl-2-[2-(dimethylamino)-3-ethylpentyl]-1-methylguanidine;hydroiodide
SMILESCCC(CC)C(C/N=C(\N)N(C)C1CC1)N(C)C.I
InChIInChI=1S/C14H30N4.HI/c1-6-11(7-2)13(17(3)4)10-16-14(15)18(5)12-8-9-12;/h11-13H,6-10H2,1-5H3,(H2,15,16);1H
InChIKeyOFCZNPQNEVEQDK-UHFFFAOYSA-N
XLogP2.38
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.33
LogP ≤ 52.38
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[2-(dimethylamino)-3-ethylpentyl]-1-methylguanidine;hydroiodide?
The IUPAC name of 1-cyclopropyl-2-[2-(dimethylamino)-3-ethylpentyl]-1-methylguanidine;hydroiodide (CID 110029751) is 1-cyclopropyl-2-[2-(dimethylamino)-3-ethylpentyl]-1-methylguanidine;hydroiodide.
What is the SMILES notation for 1-cyclopropyl-2-[2-(dimethylamino)-3-ethylpentyl]-1-methylguanidine;hydroiodide?
The canonical SMILES for 1-cyclopropyl-2-[2-(dimethylamino)-3-ethylpentyl]-1-methylguanidine;hydroiodide is CCC(CC)C(C/N=C(\N)N(C)C1CC1)N(C)C.I.
What is the InChIKey of 1-cyclopropyl-2-[2-(dimethylamino)-3-ethylpentyl]-1-methylguanidine;hydroiodide?
The InChIKey is OFCZNPQNEVEQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N4.HI/c1-6-11(7-2)13(17(3)4)10-16-14(15)18(5)12-8-9-12;/h11-13H,6-10H2,1-5H3,(H2,15,16);1H.
What are the key properties of 1-cyclopropyl-2-[2-(dimethylamino)-3-ethylpentyl]-1-methylguanidine;hydroiodide?
1-cyclopropyl-2-[2-(dimethylamino)-3-ethylpentyl]-1-methylguanidine;hydroiodide has a molecular weight of 382.33 g/mol, XLogP of 2.38, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[2-(dimethylamino)-3-ethylpentyl]-1-methylguanidine;hydroiodide is sourced from PubChem (CID 110029751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).