(1R)-1-(3-iodophenyl)pentane-1,5-diamine;hydrochloride

C11H18ClIN2 — CID 171210552

IUPAC(1R)-1-(3-iodophenyl)pentane-1,5-diamine;hydrochloride
SMILESCl.NCCCC[C@@H](N)c1cccc(I)c1
InChIInChI=1S/C11H17IN2.ClH/c12-10-5-3-4-9(8-10)11(14)6-1-2-7-13;/h3-5,8,11H,1-2,6-7,13-14H2;1H/t11-;/m1./s1
InChIKeyIUPCIAJFNGSHAB-RFVHGSKJSA-N
MW340.64 g/mol
LogP2.84
Rot. Bonds5

About (1R)-1-(3-iodophenyl)pentane-1,5-diamine;hydrochloride

(1R)-1-(3-iodophenyl)pentane-1,5-diamine;hydrochloride (PubChem CID 171210552) has the molecular formula C11H18ClIN2 and a molecular weight of 340.64 g/mol. Its IUPAC name is (1R)-1-(3-iodophenyl)pentane-1,5-diamine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(3-iodophenyl)pentane-1,5-diamine;hydrochloride
PubChem CID171210552
Molecular FormulaC11H18ClIN2
Molecular Weight340.64 g/mol
Exact Mass340.02
IUPAC Name(1R)-1-(3-iodophenyl)pentane-1,5-diamine;hydrochloride
SMILESCl.NCCCC[C@@H](N)c1cccc(I)c1
InChIInChI=1S/C11H17IN2.ClH/c12-10-5-3-4-9(8-10)11(14)6-1-2-7-13;/h3-5,8,11H,1-2,6-7,13-14H2;1H/t11-;/m1./s1
InChIKeyIUPCIAJFNGSHAB-RFVHGSKJSA-N
XLogP2.84
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.64
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-(3-iodophenyl)-4-methylpentan-1-amine;hydrochloride
CID 171230181
3-[(1S)-1,5-diaminopentyl]phenol
CID 171218046
(1R)-1-(3-methylphenyl)pentane-1,5-diamine
CID 171209871
1-(3-iodophenyl)-4-phenylbutan-1-amine
CID 115849348
(2R)-2-amino-2-(3-iodophenyl)ethanol;hydrochloride
CID 133268753
(1S)-1-(4-iodophenyl)butane-1,4-diamine;hydrochloride
CID 171222428
(1S)-1-naphthalen-2-ylpentane-1,5-diamine;hydrochloride
CID 171220846
(1S)-1-(3-fluorophenyl)butane-1,4-diamine
CID 171218658
(1R)-1-(3,4-difluorophenyl)pentane-1,5-diamine;hydrochloride
CID 171210029
(1S)-1-(3-propan-2-ylphenyl)butane-1,4-diamine
CID 171231579
(1S)-1-(3-methylphenyl)butane-1,4-diamine
CID 171229474
(1S)-1-pyridin-3-ylpentane-1,5-diamine;hydrochloride
CID 171221036

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-iodophenyl)pentane-1,5-diamine;hydrochloride?
The IUPAC name of (1R)-1-(3-iodophenyl)pentane-1,5-diamine;hydrochloride (CID 171210552) is (1R)-1-(3-iodophenyl)pentane-1,5-diamine;hydrochloride.
What is the SMILES notation for (1R)-1-(3-iodophenyl)pentane-1,5-diamine;hydrochloride?
The canonical SMILES for (1R)-1-(3-iodophenyl)pentane-1,5-diamine;hydrochloride is Cl.NCCCC[C@@H](N)c1cccc(I)c1.
What is the InChIKey of (1R)-1-(3-iodophenyl)pentane-1,5-diamine;hydrochloride?
The InChIKey is IUPCIAJFNGSHAB-RFVHGSKJSA-N. The full InChI is InChI=1S/C11H17IN2.ClH/c12-10-5-3-4-9(8-10)11(14)6-1-2-7-13;/h3-5,8,11H,1-2,6-7,13-14H2;1H/t11-;/m1./s1.
What are the key properties of (1R)-1-(3-iodophenyl)pentane-1,5-diamine;hydrochloride?
(1R)-1-(3-iodophenyl)pentane-1,5-diamine;hydrochloride has a molecular weight of 340.64 g/mol, XLogP of 2.84, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-iodophenyl)pentane-1,5-diamine;hydrochloride is sourced from PubChem (CID 171210552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).