N-[[(2S)-2,3-dihydro-1H-indol-2-yl]methyl]propan-2-amine

C12H18N2 — CID 130522123

IUPACN-[[(2S)-2,3-dihydro-1H-indol-2-yl]methyl]propan-2-amine
SMILESCC(C)NC[C@@H]1Cc2ccccc2N1
InChIInChI=1S/C12H18N2/c1-9(2)13-8-11-7-10-5-3-4-6-12(10)14-11/h3-6,9,11,13-14H,7-8H2,1-2H3/t11-/m0/s1
InChIKeyYYORHVWWZUPJAI-NSHDSACASA-N
MW190.29 g/mol
LogP2.02
Rot. Bonds3

About N-[[(2S)-2,3-dihydro-1H-indol-2-yl]methyl]propan-2-amine

N-[[(2S)-2,3-dihydro-1H-indol-2-yl]methyl]propan-2-amine (PubChem CID 130522123) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is N-[[(2S)-2,3-dihydro-1H-indol-2-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[(2S)-2,3-dihydro-1H-indol-2-yl]methyl]propan-2-amine
PubChem CID130522123
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC NameN-[[(2S)-2,3-dihydro-1H-indol-2-yl]methyl]propan-2-amine
SMILESCC(C)NC[C@@H]1Cc2ccccc2N1
InChIInChI=1S/C12H18N2/c1-9(2)13-8-11-7-10-5-3-4-6-12(10)14-11/h3-6,9,11,13-14H,7-8H2,1-2H3/t11-/m0/s1
InChIKeyYYORHVWWZUPJAI-NSHDSACASA-N
XLogP2.02
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-methylbutyl)-2,3-dihydro-1H-indole
CID 65042120
N-(2,3-dihydro-1H-indol-2-ylmethyl)-N-methylpropan-2-amine
CID 80567683
2-(propan-2-ylsulfonylmethyl)-2,3-dihydro-1H-indole
CID 115104067
2-(2,3-dihydro-1H-indol-2-ylmethyl)-1-propan-2-ylguanidine
CID 70577238
[(2S)-2,3-dihydro-1H-indol-2-yl]methanamine
CID 82667971
(2S)-2-(iodomethyl)-2,3-dihydro-1H-indole
CID 26338665
methyl N-(2,3-dihydro-1H-indol-2-ylmethyl)carbamodithioate
CID 89003399
N-(2,3-dihydro-1H-indol-2-ylmethyl)octan-1-amine
CID 115568741
N-(2,3-dihydro-1H-indol-2-ylmethyl)-N-(2-methylpropyl)cyclopentanamine
CID 80568085
tert-butyl N-(2,3-dihydro-1H-indol-2-ylmethyl)carbamate
CID 131227813
1-(2,3-dihydro-1H-indol-2-yl)-N-[(5-methylfuran-2-yl)methyl]methanamine
CID 80567600
1-(2,3-dihydro-1H-indol-2-yl)-N-[(2-methyloxolan-2-yl)methyl]methanamine
CID 80568063

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-2,3-dihydro-1H-indol-2-yl]methyl]propan-2-amine?
The IUPAC name of N-[[(2S)-2,3-dihydro-1H-indol-2-yl]methyl]propan-2-amine (CID 130522123) is N-[[(2S)-2,3-dihydro-1H-indol-2-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[(2S)-2,3-dihydro-1H-indol-2-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[(2S)-2,3-dihydro-1H-indol-2-yl]methyl]propan-2-amine is CC(C)NC[C@@H]1Cc2ccccc2N1.
What is the InChIKey of N-[[(2S)-2,3-dihydro-1H-indol-2-yl]methyl]propan-2-amine?
The InChIKey is YYORHVWWZUPJAI-NSHDSACASA-N. The full InChI is InChI=1S/C12H18N2/c1-9(2)13-8-11-7-10-5-3-4-6-12(10)14-11/h3-6,9,11,13-14H,7-8H2,1-2H3/t11-/m0/s1.
What are the key properties of N-[[(2S)-2,3-dihydro-1H-indol-2-yl]methyl]propan-2-amine?
N-[[(2S)-2,3-dihydro-1H-indol-2-yl]methyl]propan-2-amine has a molecular weight of 190.29 g/mol, XLogP of 2.02, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(2S)-2,3-dihydro-1H-indol-2-yl]methyl]propan-2-amine is sourced from PubChem (CID 130522123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).