2-[4-(4-propan-2-yloxyphenyl)butan-2-yl]guanidine;hydroiodide

C14H24IN3O — CID 84583453

IUPAC2-[4-(4-propan-2-yloxyphenyl)butan-2-yl]guanidine;hydroiodide
SMILESCC(CCc1ccc(OC(C)C)cc1)N=C(N)N.I
InChIInChI=1S/C14H23N3O.HI/c1-10(2)18-13-8-6-12(7-9-13)5-4-11(3)17-14(15)16;/h6-11H,4-5H2,1-3H3,(H4,15,16,17);1H
InChIKeyDHTXDQGRGGDXAP-UHFFFAOYSA-N
MW377.27 g/mol
LogP2.69
Rot. Bonds6

About 2-[4-(4-propan-2-yloxyphenyl)butan-2-yl]guanidine;hydroiodide

2-[4-(4-propan-2-yloxyphenyl)butan-2-yl]guanidine;hydroiodide (PubChem CID 84583453) has the molecular formula C14H24IN3O and a molecular weight of 377.27 g/mol. Its IUPAC name is 2-[4-(4-propan-2-yloxyphenyl)butan-2-yl]guanidine;hydroiodide.

Molecular Properties

Compound Name2-[4-(4-propan-2-yloxyphenyl)butan-2-yl]guanidine;hydroiodide
PubChem CID84583453
Molecular FormulaC14H24IN3O
Molecular Weight377.27 g/mol
Exact Mass377.10
IUPAC Name2-[4-(4-propan-2-yloxyphenyl)butan-2-yl]guanidine;hydroiodide
SMILESCC(CCc1ccc(OC(C)C)cc1)N=C(N)N.I
InChIInChI=1S/C14H23N3O.HI/c1-10(2)18-13-8-6-12(7-9-13)5-4-11(3)17-14(15)16;/h6-11H,4-5H2,1-3H3,(H4,15,16,17);1H
InChIKeyDHTXDQGRGGDXAP-UHFFFAOYSA-N
XLogP2.69
TPSA73.63 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.27
LogP ≤ 52.69
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'}

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Related Compounds

2-methyl-4-(4-propan-2-yloxyphenyl)butan-1-amine
CID 116924949
3-(4-propan-2-yloxyphenyl)propanethioamide
CID 83932816
1-[(Z)-pent-3-enyl]-4-propan-2-yloxybenzene
CID 83932852
1-(4-propan-2-yloxyphenyl)-2-[2-(4-propan-2-yloxyphenyl)ethyl]guanidine
CID 111049798
copper;3-(4-propan-2-yloxyphenyl)propan-1-ol
CID 70633990
2-[4-(4-propan-2-yloxyphenyl)phenyl]ethanamine
CID 39357518
N-carbamoyl-3-(4-propan-2-yloxyphenyl)propanamide
CID 173014561
2-[2-(4-methoxyphenyl)ethyl]-1-(4-propan-2-yloxyphenyl)guanidine;hydroiodide
CID 111024107
4-(4-propan-2-yloxyphenyl)butan-2-one
CID 24710648
5-(4-propan-2-yloxyphenyl)pentan-1-amine
CID 54244328
2-[2-(4-propan-2-yloxyphenyl)ethylamino]acetamide
CID 115260110
2-(2-methoxyethyl)-1-[2-(4-propan-2-yloxyphenyl)ethyl]guanidine;hydroiodide
CID 110913371

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-propan-2-yloxyphenyl)butan-2-yl]guanidine;hydroiodide?
The IUPAC name of 2-[4-(4-propan-2-yloxyphenyl)butan-2-yl]guanidine;hydroiodide (CID 84583453) is 2-[4-(4-propan-2-yloxyphenyl)butan-2-yl]guanidine;hydroiodide.
What is the SMILES notation for 2-[4-(4-propan-2-yloxyphenyl)butan-2-yl]guanidine;hydroiodide?
The canonical SMILES for 2-[4-(4-propan-2-yloxyphenyl)butan-2-yl]guanidine;hydroiodide is CC(CCc1ccc(OC(C)C)cc1)N=C(N)N.I.
What is the InChIKey of 2-[4-(4-propan-2-yloxyphenyl)butan-2-yl]guanidine;hydroiodide?
The InChIKey is DHTXDQGRGGDXAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O.HI/c1-10(2)18-13-8-6-12(7-9-13)5-4-11(3)17-14(15)16;/h6-11H,4-5H2,1-3H3,(H4,15,16,17);1H.
What are the key properties of 2-[4-(4-propan-2-yloxyphenyl)butan-2-yl]guanidine;hydroiodide?
2-[4-(4-propan-2-yloxyphenyl)butan-2-yl]guanidine;hydroiodide has a molecular weight of 377.27 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-propan-2-yloxyphenyl)butan-2-yl]guanidine;hydroiodide is sourced from PubChem (CID 84583453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).