2-amino-3-[[2-(1H-indol-3-yl)-2-methylpropyl]amino]propan-1-ol

C15H23N3O — CID 115121040

IUPAC2-amino-3-[[2-(1H-indol-3-yl)-2-methylpropyl]amino]propan-1-ol
SMILESCC(C)(CNCC(N)CO)c1c[nH]c2ccccc12
InChIInChI=1S/C15H23N3O/c1-15(2,10-17-7-11(16)9-19)13-8-18-14-6-4-3-5-12(13)14/h3-6,8,11,17-19H,7,9-10,16H2,1-2H3
InChIKeyPNBHHOPBAGUGKR-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.35
Rot. Bonds6

About 2-amino-3-[[2-(1H-indol-3-yl)-2-methylpropyl]amino]propan-1-ol

2-amino-3-[[2-(1H-indol-3-yl)-2-methylpropyl]amino]propan-1-ol (PubChem CID 115121040) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 2-amino-3-[[2-(1H-indol-3-yl)-2-methylpropyl]amino]propan-1-ol.

Molecular Properties

Compound Name2-amino-3-[[2-(1H-indol-3-yl)-2-methylpropyl]amino]propan-1-ol
PubChem CID115121040
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name2-amino-3-[[2-(1H-indol-3-yl)-2-methylpropyl]amino]propan-1-ol
SMILESCC(C)(CNCC(N)CO)c1c[nH]c2ccccc12
InChIInChI=1S/C15H23N3O/c1-15(2,10-17-7-11(16)9-19)13-8-18-14-6-4-3-5-12(13)14/h3-6,8,11,17-19H,7,9-10,16H2,1-2H3
InChIKeyPNBHHOPBAGUGKR-UHFFFAOYSA-N
XLogP1.35
TPSA74.07 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N'-[2-(1H-indol-3-yl)-2-methylpropyl]ethane-1,2-diamine
CID 115195611
2-[[2-(1H-indol-3-yl)-2-methylpropyl]amino]acetic acid
CID 115218163
[2-(1H-indol-3-yl)-2-methylpropyl]urea
CID 115168791
2-amino-3-(1H-indol-3-ylmethylamino)propan-1-ol
CID 115120563
3-amino-N-[2-(1H-indol-3-yl)-2-methylpropyl]propanamide
CID 115153153
N-[2-(1H-indol-3-yl)-2-methylpropyl]propanamide
CID 113084044
1-[2-(1H-indol-3-yl)-2-methylpropyl]-3-propan-2-ylurea
CID 113084112
2-[[2-(1H-indol-3-yl)-2-methylpropyl]amino]propanenitrile
CID 115130659
3-[1-(dimethylsulfamoylamino)-2-methylpropan-2-yl]-1H-indole
CID 113084118
N-[2-(1H-indol-3-yl)-2-methylpropyl]-2-(4-methylphenyl)acetamide
CID 113084102
2-(1H-indol-3-yl)propan-2-amine
CID 18668060
2,2,2-tris(1H-indol-3-yl)ethanol
CID 146232723

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[[2-(1H-indol-3-yl)-2-methylpropyl]amino]propan-1-ol?
The IUPAC name of 2-amino-3-[[2-(1H-indol-3-yl)-2-methylpropyl]amino]propan-1-ol (CID 115121040) is 2-amino-3-[[2-(1H-indol-3-yl)-2-methylpropyl]amino]propan-1-ol.
What is the SMILES notation for 2-amino-3-[[2-(1H-indol-3-yl)-2-methylpropyl]amino]propan-1-ol?
The canonical SMILES for 2-amino-3-[[2-(1H-indol-3-yl)-2-methylpropyl]amino]propan-1-ol is CC(C)(CNCC(N)CO)c1c[nH]c2ccccc12.
What is the InChIKey of 2-amino-3-[[2-(1H-indol-3-yl)-2-methylpropyl]amino]propan-1-ol?
The InChIKey is PNBHHOPBAGUGKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-15(2,10-17-7-11(16)9-19)13-8-18-14-6-4-3-5-12(13)14/h3-6,8,11,17-19H,7,9-10,16H2,1-2H3.
What are the key properties of 2-amino-3-[[2-(1H-indol-3-yl)-2-methylpropyl]amino]propan-1-ol?
2-amino-3-[[2-(1H-indol-3-yl)-2-methylpropyl]amino]propan-1-ol has a molecular weight of 261.37 g/mol, XLogP of 1.35, 6 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[[2-(1H-indol-3-yl)-2-methylpropyl]amino]propan-1-ol is sourced from PubChem (CID 115121040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).