pentan-3-amine;hydroiodide

C5H14IN — CID 173436389

IUPACpentan-3-amine;hydroiodide
SMILESCCC(N)CC.I
InChIInChI=1S/C5H13N.HI/c1-3-5(6)4-2;/h5H,3-4,6H2,1-2H3;1H
InChIKeyHKTKRUDGNVRTAR-UHFFFAOYSA-N
MW215.08 g/mol
LogP1.75
Rot. Bonds2

About pentan-3-amine;hydroiodide

pentan-3-amine;hydroiodide (PubChem CID 173436389) has the molecular formula C5H14IN and a molecular weight of 215.08 g/mol. Its IUPAC name is pentan-3-amine;hydroiodide.

Molecular Properties

Compound Namepentan-3-amine;hydroiodide
PubChem CID173436389
Molecular FormulaC5H14IN
Molecular Weight215.08 g/mol
Exact Mass215.02
IUPAC Namepentan-3-amine;hydroiodide
SMILESCCC(N)CC.I
InChIInChI=1S/C5H13N.HI/c1-3-5(6)4-2;/h5H,3-4,6H2,1-2H3;1H
InChIKeyHKTKRUDGNVRTAR-UHFFFAOYSA-N
XLogP1.75
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.08
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(5R)-heptane-3,5-diamine
CID 118180613
tetradecane-3,6,9,12-tetramine
CID 140993886
(2S)-1-chlorobutan-2-amine
CID 130722137
ethane;hexan-3-amine
CID 143616305
pentan-3-amine;yttrium(3+)
CID 23541288
1,1-difluoropentan-3-amine
CID 62581791
2-aminobutyl(trimethyl)azanium
CID 57196894
ethane;hexan-3-amine;methane
CID 145152462
hexane-3,4-diamine
CID 12656175
4-aminohexane-1,1-diol
CID 91042814
1-dichlorosilylbutan-2-amine
CID 173003363
tridecan-3-amine
CID 19435959

Frequently Asked Questions

What is the IUPAC name of pentan-3-amine;hydroiodide?
The IUPAC name of pentan-3-amine;hydroiodide (CID 173436389) is pentan-3-amine;hydroiodide.
What is the SMILES notation for pentan-3-amine;hydroiodide?
The canonical SMILES for pentan-3-amine;hydroiodide is CCC(N)CC.I.
What is the InChIKey of pentan-3-amine;hydroiodide?
The InChIKey is HKTKRUDGNVRTAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N.HI/c1-3-5(6)4-2;/h5H,3-4,6H2,1-2H3;1H.
What are the key properties of pentan-3-amine;hydroiodide?
pentan-3-amine;hydroiodide has a molecular weight of 215.08 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pentan-3-amine;hydroiodide is sourced from PubChem (CID 173436389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).