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

C15H19N3 — CID 115130659

IUPAC2-[[2-(1H-indol-3-yl)-2-methylpropyl]amino]propanenitrile
SMILESCC(C#N)NCC(C)(C)c1c[nH]c2ccccc12
InChIInChI=1S/C15H19N3/c1-11(8-16)18-10-15(2,3)13-9-17-14-7-5-4-6-12(13)14/h4-7,9,11,17-18H,10H2,1-3H3
InChIKeyKKVMEPKVSMTGKN-UHFFFAOYSA-N
MW241.34 g/mol
LogP2.95
Rot. Bonds4

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

2-[[2-(1H-indol-3-yl)-2-methylpropyl]amino]propanenitrile (PubChem CID 115130659) has the molecular formula C15H19N3 and a molecular weight of 241.34 g/mol. Its IUPAC name is 2-[[2-(1H-indol-3-yl)-2-methylpropyl]amino]propanenitrile.

Molecular Properties

Compound Name2-[[2-(1H-indol-3-yl)-2-methylpropyl]amino]propanenitrile
PubChem CID115130659
Molecular FormulaC15H19N3
Molecular Weight241.34 g/mol
Exact Mass241.16
IUPAC Name2-[[2-(1H-indol-3-yl)-2-methylpropyl]amino]propanenitrile
SMILESCC(C#N)NCC(C)(C)c1c[nH]c2ccccc12
InChIInChI=1S/C15H19N3/c1-11(8-16)18-10-15(2,3)13-9-17-14-7-5-4-6-12(13)14/h4-7,9,11,17-18H,10H2,1-3H3
InChIKeyKKVMEPKVSMTGKN-UHFFFAOYSA-N
XLogP2.95
TPSA51.61 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.34
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(1H-indol-3-ylmethylamino)propanenitrile
CID 115130152
[2-(1H-indol-3-yl)-2-methylpropyl]urea
CID 115168791
1-[2-(1H-indol-3-yl)-2-methylpropyl]-3-propan-2-ylurea
CID 113084112
N'-[2-(1H-indol-3-yl)-2-methylpropyl]ethane-1,2-diamine
CID 115195611
2-amino-3-[[2-(1H-indol-3-yl)-2-methylpropyl]amino]propan-1-ol
CID 115121040
2-[[2-(1H-indol-3-yl)-2-methylpropyl]amino]acetic acid
CID 115218163
N-[2-(1H-indol-3-yl)-2-methylpropyl]propanamide
CID 113084044
3-[1-(dimethylsulfamoylamino)-2-methylpropan-2-yl]-1H-indole
CID 113084118
3-amino-N-[2-(1H-indol-3-yl)-2-methylpropyl]propanamide
CID 115153153
N-[2-(1H-indol-3-yl)-2-methylpropyl]-2-(4-methylphenyl)acetamide
CID 113084102
(2R)-1-[[4-(1H-indol-3-yl)-4-methylpentan-2-yl]amino]-3-methoxypropan-2-ol
CID 119052552
2-(1H-indol-3-yl)-2-(propylamino)acetonitrile
CID 84816526

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1H-indol-3-yl)-2-methylpropyl]amino]propanenitrile?
The IUPAC name of 2-[[2-(1H-indol-3-yl)-2-methylpropyl]amino]propanenitrile (CID 115130659) is 2-[[2-(1H-indol-3-yl)-2-methylpropyl]amino]propanenitrile.
What is the SMILES notation for 2-[[2-(1H-indol-3-yl)-2-methylpropyl]amino]propanenitrile?
The canonical SMILES for 2-[[2-(1H-indol-3-yl)-2-methylpropyl]amino]propanenitrile is CC(C#N)NCC(C)(C)c1c[nH]c2ccccc12.
What is the InChIKey of 2-[[2-(1H-indol-3-yl)-2-methylpropyl]amino]propanenitrile?
The InChIKey is KKVMEPKVSMTGKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3/c1-11(8-16)18-10-15(2,3)13-9-17-14-7-5-4-6-12(13)14/h4-7,9,11,17-18H,10H2,1-3H3.
What are the key properties of 2-[[2-(1H-indol-3-yl)-2-methylpropyl]amino]propanenitrile?
2-[[2-(1H-indol-3-yl)-2-methylpropyl]amino]propanenitrile has a molecular weight of 241.34 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1H-indol-3-yl)-2-methylpropyl]amino]propanenitrile is sourced from PubChem (CID 115130659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).