(2S)-1-(5-methyl-1-propylindol-3-yl)propan-2-amine

C15H22N2 — CID 41063911

IUPAC(2S)-1-(5-methyl-1-propylindol-3-yl)propan-2-amine
SMILESCCCn1cc(C[C@H](C)N)c2cc(C)ccc21
InChIInChI=1S/C15H22N2/c1-4-7-17-10-13(9-12(3)16)14-8-11(2)5-6-15(14)17/h5-6,8,10,12H,4,7,9,16H2,1-3H3/t12-/m0/s1
InChIKeySJDKQRRBCDGBEE-LBPRGKRZSA-N
MW230.35 g/mol
LogP3.25
Rot. Bonds4

About (2S)-1-(5-methyl-1-propylindol-3-yl)propan-2-amine

(2S)-1-(5-methyl-1-propylindol-3-yl)propan-2-amine (PubChem CID 41063911) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is (2S)-1-(5-methyl-1-propylindol-3-yl)propan-2-amine.

Molecular Properties

Compound Name(2S)-1-(5-methyl-1-propylindol-3-yl)propan-2-amine
PubChem CID41063911
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name(2S)-1-(5-methyl-1-propylindol-3-yl)propan-2-amine
SMILESCCCn1cc(C[C@H](C)N)c2cc(C)ccc21
InChIInChI=1S/C15H22N2/c1-4-7-17-10-13(9-12(3)16)14-8-11(2)5-6-15(14)17/h5-6,8,10,12H,4,7,9,16H2,1-3H3/t12-/m0/s1
InChIKeySJDKQRRBCDGBEE-LBPRGKRZSA-N
XLogP3.25
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-ethyl-5-methylindol-3-yl)-N-methylpropan-2-amine
CID 117195502
(2S)-1-(6-methoxy-1-propylindol-3-yl)propan-2-amine
CID 40901056
N-[2-(5-methyl-1-propylindol-3-yl)ethyl]propanamide
CID 122425297
1-(1-ethylindol-3-yl)propan-2-amine
CID 6484661
1-(1-ethyl-5-methylindol-3-yl)ethanamine
CID 117120993
1-[1-(2-ethylsulfonylethyl)indol-3-yl]propan-2-amine
CID 66406061
1-[1-(2-phenylethyl)indol-3-yl]propan-2-amine
CID 66404648
(2S)-1-(1-benzyl-5-fluoroindol-3-yl)propan-2-amine
CID 41063932
1-butyl-5-methyl-3-(piperidin-1-ylmethyl)indole
CID 132510881
3-(5-methyl-3-propan-2-ylindol-1-yl)propan-1-amine
CID 83948737
1-(2,4-dimethylphenyl)propan-2-amine
CID 541870
1-(1-ethyl-6-methylindol-3-yl)-N-methylpropan-2-amine
CID 117196204

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(5-methyl-1-propylindol-3-yl)propan-2-amine?
The IUPAC name of (2S)-1-(5-methyl-1-propylindol-3-yl)propan-2-amine (CID 41063911) is (2S)-1-(5-methyl-1-propylindol-3-yl)propan-2-amine.
What is the SMILES notation for (2S)-1-(5-methyl-1-propylindol-3-yl)propan-2-amine?
The canonical SMILES for (2S)-1-(5-methyl-1-propylindol-3-yl)propan-2-amine is CCCn1cc(C[C@H](C)N)c2cc(C)ccc21.
What is the InChIKey of (2S)-1-(5-methyl-1-propylindol-3-yl)propan-2-amine?
The InChIKey is SJDKQRRBCDGBEE-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H22N2/c1-4-7-17-10-13(9-12(3)16)14-8-11(2)5-6-15(14)17/h5-6,8,10,12H,4,7,9,16H2,1-3H3/t12-/m0/s1.
What are the key properties of (2S)-1-(5-methyl-1-propylindol-3-yl)propan-2-amine?
(2S)-1-(5-methyl-1-propylindol-3-yl)propan-2-amine has a molecular weight of 230.35 g/mol, XLogP of 3.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(5-methyl-1-propylindol-3-yl)propan-2-amine is sourced from PubChem (CID 41063911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).