(1R)-1-(1H-indol-4-yl)pentane-1,5-diamine;hydrochloride

C13H20ClN3 — CID 171205497

IUPAC(1R)-1-(1H-indol-4-yl)pentane-1,5-diamine;hydrochloride
SMILESCl.NCCCC[C@@H](N)c1cccc2[nH]ccc12
InChIInChI=1S/C13H19N3.ClH/c14-8-2-1-5-12(15)10-4-3-6-13-11(10)7-9-16-13;/h3-4,6-7,9,12,16H,1-2,5,8,14-15H2;1H/t12-;/m1./s1
InChIKeyWYPGNEABFPRXJY-UTONKHPSSA-N
MW253.78 g/mol
LogP2.72
Rot. Bonds5

About (1R)-1-(1H-indol-4-yl)pentane-1,5-diamine;hydrochloride

(1R)-1-(1H-indol-4-yl)pentane-1,5-diamine;hydrochloride (PubChem CID 171205497) has the molecular formula C13H20ClN3 and a molecular weight of 253.78 g/mol. Its IUPAC name is (1R)-1-(1H-indol-4-yl)pentane-1,5-diamine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(1H-indol-4-yl)pentane-1,5-diamine;hydrochloride
PubChem CID171205497
Molecular FormulaC13H20ClN3
Molecular Weight253.78 g/mol
Exact Mass253.13
IUPAC Name(1R)-1-(1H-indol-4-yl)pentane-1,5-diamine;hydrochloride
SMILESCl.NCCCC[C@@H](N)c1cccc2[nH]ccc12
InChIInChI=1S/C13H19N3.ClH/c14-8-2-1-5-12(15)10-4-3-6-13-11(10)7-9-16-13;/h3-4,6-7,9,12,16H,1-2,5,8,14-15H2;1H/t12-;/m1./s1
InChIKeyWYPGNEABFPRXJY-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

(4R)-4-amino-4-(1H-indol-4-yl)butan-1-ol
CID 171205537
(1S)-4,4,4-trifluoro-1-(1H-indol-4-yl)butan-1-amine;hydrochloride
CID 171225086
(1S)-1-(1H-indol-3-yl)pentane-1,5-diamine
CID 171217468
2-amino-2-(1H-indol-4-yl)ethanol
CID 55282534
(1R)-2-fluoro-1-(1H-indol-4-yl)ethanamine
CID 130708711
3-amino-1-(1H-indol-4-yl)propan-1-ol
CID 54551349
(1R)-3,3,3-trifluoro-1-(1H-indol-4-yl)propan-1-amine
CID 131385428
(1S)-3,3-difluoro-1-(1H-indol-4-yl)propan-1-amine
CID 131619295
(1S)-2-cyclopropyl-1-(1H-indol-4-yl)ethanamine
CID 171225082
2-amino-1-(1H-indol-4-yl)ethanol
CID 13186941
2-(1,6-diaminohexyl)phenol
CID 19366084
4-octan-2-yl-1H-indole
CID 130223302

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(1H-indol-4-yl)pentane-1,5-diamine;hydrochloride?
The IUPAC name of (1R)-1-(1H-indol-4-yl)pentane-1,5-diamine;hydrochloride (CID 171205497) is (1R)-1-(1H-indol-4-yl)pentane-1,5-diamine;hydrochloride.
What is the SMILES notation for (1R)-1-(1H-indol-4-yl)pentane-1,5-diamine;hydrochloride?
The canonical SMILES for (1R)-1-(1H-indol-4-yl)pentane-1,5-diamine;hydrochloride is Cl.NCCCC[C@@H](N)c1cccc2[nH]ccc12.
What is the InChIKey of (1R)-1-(1H-indol-4-yl)pentane-1,5-diamine;hydrochloride?
The InChIKey is WYPGNEABFPRXJY-UTONKHPSSA-N. The full InChI is InChI=1S/C13H19N3.ClH/c14-8-2-1-5-12(15)10-4-3-6-13-11(10)7-9-16-13;/h3-4,6-7,9,12,16H,1-2,5,8,14-15H2;1H/t12-;/m1./s1.
What are the key properties of (1R)-1-(1H-indol-4-yl)pentane-1,5-diamine;hydrochloride?
(1R)-1-(1H-indol-4-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-4-yl)pentane-1,5-diamine;hydrochloride is sourced from PubChem (CID 171205497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).