3-N-(5-iodo-2-pyridinyl)cyclopentane-1,3-diamine

C10H14IN3 — CID 171746116

IUPAC3-N-(5-iodo-2-pyridinyl)cyclopentane-1,3-diamine
SMILESNC1CCC(Nc2ccc(I)cn2)C1
InChIInChI=1S/C10H14IN3/c11-7-1-4-10(13-6-7)14-9-3-2-8(12)5-9/h1,4,6,8-9H,2-3,5,12H2,(H,13,14)
InChIKeyBGRPKNKYGLTADM-UHFFFAOYSA-N
MW303.15 g/mol
LogP1.98
Rot. Bonds2

About 3-N-(5-iodo-2-pyridinyl)cyclopentane-1,3-diamine

3-N-(5-iodo-2-pyridinyl)cyclopentane-1,3-diamine (PubChem CID 171746116) has the molecular formula C10H14IN3 and a molecular weight of 303.15 g/mol. Its IUPAC name is 3-N-(5-iodo-2-pyridinyl)cyclopentane-1,3-diamine.

Molecular Properties

Compound Name3-N-(5-iodo-2-pyridinyl)cyclopentane-1,3-diamine
PubChem CID171746116
Molecular FormulaC10H14IN3
Molecular Weight303.15 g/mol
Exact Mass303.02
IUPAC Name3-N-(5-iodo-2-pyridinyl)cyclopentane-1,3-diamine
SMILESNC1CCC(Nc2ccc(I)cn2)C1
InChIInChI=1S/C10H14IN3/c11-7-1-4-10(13-6-7)14-9-3-2-8(12)5-9/h1,4,6,8-9H,2-3,5,12H2,(H,13,14)
InChIKeyBGRPKNKYGLTADM-UHFFFAOYSA-N
XLogP1.98
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.15
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-N-(5-iodo-2-pyridinyl)cyclohexane-1,2-diamine
CID 58464157
trans-(1S,3S)-3-N-[5-(difluoromethoxy)pyrazin-2-yl]-1-N-(5-iodo-2-pyridinyl)cyclopentane-1,3-diamine
CID 171100764
4-N-(5-fluoro-2-pyridinyl)cyclohexane-1,4-diamine
CID 62312959
4-N-(5-methyl-2-pyridinyl)cyclohexane-1,4-diamine;dihydrochloride
CID 86694119
trans-(1S,3S)-3-N-(1H-imidazo[4,5-b]pyridin-2-yl)-1-N-(5-iodo-2-pyridinyl)cyclopentane-1,3-diamine
CID 171801021
4-N-(5-tert-butyl-2-pyridinyl)cyclohexane-1,4-diamine
CID 114011527
6-[(4-aminocyclohexyl)amino]pyridine-3-carboxamide
CID 58337929
2-N-cyclopropylpyridine-2,5-diamine
CID 16776026
6-[(4-aminocyclohexyl)amino]pyridine-3-sulfonamide
CID 62321102
1-[6-[[(1S,3S)-3-aminocyclopentyl]amino]-3-pyridinyl]-6-oxopyridine-2-carbonitrile
CID 178129218
trans-(1S,3S)-3-N-[5-[2-fluoro-6-(trifluoromethoxy)phenyl]-2-pyridinyl]cyclopentane-1,3-diamine
CID 171801036
1-[6-[[(1S,3S)-3-aminocyclopentyl]amino]-3-pyridinyl]-2-oxopyridine-3-carbonitrile
CID 171100601

Frequently Asked Questions

What is the IUPAC name of 3-N-(5-iodo-2-pyridinyl)cyclopentane-1,3-diamine?
The IUPAC name of 3-N-(5-iodo-2-pyridinyl)cyclopentane-1,3-diamine (CID 171746116) is 3-N-(5-iodo-2-pyridinyl)cyclopentane-1,3-diamine.
What is the SMILES notation for 3-N-(5-iodo-2-pyridinyl)cyclopentane-1,3-diamine?
The canonical SMILES for 3-N-(5-iodo-2-pyridinyl)cyclopentane-1,3-diamine is NC1CCC(Nc2ccc(I)cn2)C1.
What is the InChIKey of 3-N-(5-iodo-2-pyridinyl)cyclopentane-1,3-diamine?
The InChIKey is BGRPKNKYGLTADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14IN3/c11-7-1-4-10(13-6-7)14-9-3-2-8(12)5-9/h1,4,6,8-9H,2-3,5,12H2,(H,13,14).
What are the key properties of 3-N-(5-iodo-2-pyridinyl)cyclopentane-1,3-diamine?
3-N-(5-iodo-2-pyridinyl)cyclopentane-1,3-diamine has a molecular weight of 303.15 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(5-iodo-2-pyridinyl)cyclopentane-1,3-diamine is sourced from PubChem (CID 171746116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).