(1R)-1-(1H-indol-5-yl)pentane-1,5-diamine;hydrochloride

C13H20ClN3 — CID 171205545

IUPAC(1R)-1-(1H-indol-5-yl)pentane-1,5-diamine;hydrochloride
SMILESCl.NCCCC[C@@H](N)c1ccc2[nH]ccc2c1
InChIInChI=1S/C13H19N3.ClH/c14-7-2-1-3-12(15)10-4-5-13-11(9-10)6-8-16-13;/h4-6,8-9,12,16H,1-3,7,14-15H2;1H/t12-;/m1./s1
InChIKeyOTFWOGTZHNYQSP-UTONKHPSSA-N
MW253.78 g/mol
LogP2.72
Rot. Bonds5

About (1R)-1-(1H-indol-5-yl)pentane-1,5-diamine;hydrochloride

(1R)-1-(1H-indol-5-yl)pentane-1,5-diamine;hydrochloride (PubChem CID 171205545) has the molecular formula C13H20ClN3 and a molecular weight of 253.78 g/mol. Its IUPAC name is (1R)-1-(1H-indol-5-yl)pentane-1,5-diamine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(1H-indol-5-yl)pentane-1,5-diamine;hydrochloride
PubChem CID171205545
Molecular FormulaC13H20ClN3
Molecular Weight253.78 g/mol
Exact Mass253.13
IUPAC Name(1R)-1-(1H-indol-5-yl)pentane-1,5-diamine;hydrochloride
SMILESCl.NCCCC[C@@H](N)c1ccc2[nH]ccc2c1
InChIInChI=1S/C13H19N3.ClH/c14-7-2-1-3-12(15)10-4-5-13-11(9-10)6-8-16-13;/h4-6,8-9,12,16H,1-3,7,14-15H2;1H/t12-;/m1./s1
InChIKeyOTFWOGTZHNYQSP-UTONKHPSSA-N
XLogP2.72
TPSA67.83 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.78
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-amino-3-(1H-indol-5-yl)propan-1-ol
CID 55273219
1-(1H-indol-6-yl)propane-1,3-diamine
CID 131197541
(1R)-3-amino-1-(1H-indol-5-yl)propan-1-ol
CID 96590440
(1S)-1-naphthalen-2-ylpentane-1,5-diamine;hydrochloride
CID 171220846
1-(1H-indol-5-yl)-2-methoxyethanamine
CID 55270804
(1S)-3-fluoro-1-(1H-indol-6-yl)propan-1-amine;hydrochloride
CID 171225183
(1S)-1-(1H-indol-6-yl)-4-methylpentan-1-amine;hydrochloride
CID 171225201
(1S)-1-(1H-indol-6-yl)pentan-1-amine
CID 171225173
(1R)-1-(3,4-difluorophenyl)pentane-1,5-diamine;hydrochloride
CID 171210029
1-(1H-indol-5-yl)heptan-1-ol
CID 81444731
(1R)-1-(3,4-dimethylphenyl)pentane-1,5-diamine;hydrochloride
CID 171200476
(1R)-1-(1H-indol-4-yl)pentane-1,5-diamine;hydrochloride
CID 171205497

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(1H-indol-5-yl)pentane-1,5-diamine;hydrochloride?
The IUPAC name of (1R)-1-(1H-indol-5-yl)pentane-1,5-diamine;hydrochloride (CID 171205545) is (1R)-1-(1H-indol-5-yl)pentane-1,5-diamine;hydrochloride.
What is the SMILES notation for (1R)-1-(1H-indol-5-yl)pentane-1,5-diamine;hydrochloride?
The canonical SMILES for (1R)-1-(1H-indol-5-yl)pentane-1,5-diamine;hydrochloride is Cl.NCCCC[C@@H](N)c1ccc2[nH]ccc2c1.
What is the InChIKey of (1R)-1-(1H-indol-5-yl)pentane-1,5-diamine;hydrochloride?
The InChIKey is OTFWOGTZHNYQSP-UTONKHPSSA-N. The full InChI is InChI=1S/C13H19N3.ClH/c14-7-2-1-3-12(15)10-4-5-13-11(9-10)6-8-16-13;/h4-6,8-9,12,16H,1-3,7,14-15H2;1H/t12-;/m1./s1.
What are the key properties of (1R)-1-(1H-indol-5-yl)pentane-1,5-diamine;hydrochloride?
(1R)-1-(1H-indol-5-yl)pentane-1,5-diamine;hydrochloride has a molecular weight of 253.78 g/mol, XLogP of 2.72, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(1H-indol-5-yl)pentane-1,5-diamine;hydrochloride is sourced from PubChem (CID 171205545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).