1-[[(5R)-5-amino-5-(1H-indol-3-yl)pentyl]amino]ethanol

C15H23N3O — CID 163917154

IUPAC1-[[(5R)-5-amino-5-(1H-indol-3-yl)pentyl]amino]ethanol
SMILESCC(O)NCCCC[C@@H](N)c1c[nH]c2ccccc12
InChIInChI=1S/C15H23N3O/c1-11(19)17-9-5-4-7-14(16)13-10-18-15-8-3-2-6-12(13)15/h2-3,6,8,10-11,14,17-19H,4-5,7,9,16H2,1H3/t11?,14-/m1/s1
InChIKeyQXGKJKSCTQFPFU-SBXXRYSUSA-N
MW261.37 g/mol
LogP2.27
Rot. Bonds7

About 1-[[(5R)-5-amino-5-(1H-indol-3-yl)pentyl]amino]ethanol

1-[[(5R)-5-amino-5-(1H-indol-3-yl)pentyl]amino]ethanol (PubChem CID 163917154) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-[[(5R)-5-amino-5-(1H-indol-3-yl)pentyl]amino]ethanol.

Molecular Properties

Compound Name1-[[(5R)-5-amino-5-(1H-indol-3-yl)pentyl]amino]ethanol
PubChem CID163917154
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-[[(5R)-5-amino-5-(1H-indol-3-yl)pentyl]amino]ethanol
SMILESCC(O)NCCCC[C@@H](N)c1c[nH]c2ccccc12
InChIInChI=1S/C15H23N3O/c1-11(19)17-9-5-4-7-14(16)13-10-18-15-8-3-2-6-12(13)15/h2-3,6,8,10-11,14,17-19H,4-5,7,9,16H2,1H3/t11?,14-/m1/s1
InChIKeyQXGKJKSCTQFPFU-SBXXRYSUSA-N
XLogP2.27
TPSA74.07 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 52.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-(1H-indol-3-yl)hexan-1-amine;hydrochloride
CID 171197968
(1S)-1-(1H-indol-3-yl)pentane-1,5-diamine
CID 171217468
1-(1H-indol-3-yl)-N'-propan-2-ylethane-1,2-diamine
CID 116935052
4-amino-4-(1H-indol-3-yl)butanoic acid
CID 82614837
(2S,3S)-3-(1H-indol-3-yl)butan-2-ol
CID 130705083
N'-ethyl-1-(1H-indol-3-yl)ethane-1,2-diamine
CID 116934899
2-amino-3-(1H-indol-3-yl)butanal
CID 174494789
3-amino-1-(1H-indol-3-yl)propan-1-ol
CID 82281300
(3R)-3-(1H-indol-3-yl)butan-1-ol
CID 93483686
2-(ethylamino)-2-(1H-indol-3-yl)ethanol
CID 82282852
3-propan-2-yl-1H-indole
CID 12534824
2-(1H-indol-3-yl)propan-1-amine
CID 6452095

Frequently Asked Questions

What is the IUPAC name of 1-[[(5R)-5-amino-5-(1H-indol-3-yl)pentyl]amino]ethanol?
The IUPAC name of 1-[[(5R)-5-amino-5-(1H-indol-3-yl)pentyl]amino]ethanol (CID 163917154) is 1-[[(5R)-5-amino-5-(1H-indol-3-yl)pentyl]amino]ethanol.
What is the SMILES notation for 1-[[(5R)-5-amino-5-(1H-indol-3-yl)pentyl]amino]ethanol?
The canonical SMILES for 1-[[(5R)-5-amino-5-(1H-indol-3-yl)pentyl]amino]ethanol is CC(O)NCCCC[C@@H](N)c1c[nH]c2ccccc12.
What is the InChIKey of 1-[[(5R)-5-amino-5-(1H-indol-3-yl)pentyl]amino]ethanol?
The InChIKey is QXGKJKSCTQFPFU-SBXXRYSUSA-N. The full InChI is InChI=1S/C15H23N3O/c1-11(19)17-9-5-4-7-14(16)13-10-18-15-8-3-2-6-12(13)15/h2-3,6,8,10-11,14,17-19H,4-5,7,9,16H2,1H3/t11?,14-/m1/s1.
What are the key properties of 1-[[(5R)-5-amino-5-(1H-indol-3-yl)pentyl]amino]ethanol?
1-[[(5R)-5-amino-5-(1H-indol-3-yl)pentyl]amino]ethanol has a molecular weight of 261.37 g/mol, XLogP of 2.27, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(5R)-5-amino-5-(1H-indol-3-yl)pentyl]amino]ethanol is sourced from PubChem (CID 163917154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).