(1S)-2,2-dimethyl-1-(2-methyl-1H-indol-3-yl)propan-1-amine

C14H20N2 — CID 131384165

IUPAC(1S)-2,2-dimethyl-1-(2-methyl-1H-indol-3-yl)propan-1-amine
SMILESCc1[nH]c2ccccc2c1[C@@H](N)C(C)(C)C
InChIInChI=1S/C14H20N2/c1-9-12(13(15)14(2,3)4)10-7-5-6-8-11(10)16-9/h5-8,13,16H,15H2,1-4H3/t13-/m1/s1
InChIKeyVIHAMIQXWAPZOK-CYBMUJFWSA-N
MW216.33 g/mol
LogP3.52
Rot. Bonds1

About (1S)-2,2-dimethyl-1-(2-methyl-1H-indol-3-yl)propan-1-amine

(1S)-2,2-dimethyl-1-(2-methyl-1H-indol-3-yl)propan-1-amine (PubChem CID 131384165) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is (1S)-2,2-dimethyl-1-(2-methyl-1H-indol-3-yl)propan-1-amine.

Molecular Properties

Compound Name(1S)-2,2-dimethyl-1-(2-methyl-1H-indol-3-yl)propan-1-amine
PubChem CID131384165
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name(1S)-2,2-dimethyl-1-(2-methyl-1H-indol-3-yl)propan-1-amine
SMILESCc1[nH]c2ccccc2c1[C@@H](N)C(C)(C)C
InChIInChI=1S/C14H20N2/c1-9-12(13(15)14(2,3)4)10-7-5-6-8-11(10)16-9/h5-8,13,16H,15H2,1-4H3/t13-/m1/s1
InChIKeyVIHAMIQXWAPZOK-CYBMUJFWSA-N
XLogP3.52
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Related Compounds

(1R)-2,2,2-trifluoro-1-(2-methyl-1H-indol-3-yl)ethanamine
CID 95447779
(1R)-2,2,3,3,3-pentafluoro-1-(2-methyl-1H-indol-3-yl)propan-1-amine;hydrochloride
CID 171312424
2,2-dimethyl-1-(2-methyl-1H-indol-3-yl)butane-1,4-diamine
CID 116934490
(1S)-1-(2-methyl-1H-indol-3-yl)ethane-1,2-diamine
CID 131198811
1-amino-1-(2-methyl-1H-indol-3-yl)propan-2-ol
CID 116859564
2-amino-2-(2-methyl-1H-indol-3-yl)acetamide
CID 116850760
1-(2-methyl-1H-indol-3-yl)-2-methylsulfanylethanamine
CID 116830290
(1R)-3,3,3-trifluoro-1-(2-methyl-1H-indol-3-yl)propan-1-amine;hydrochloride
CID 171206848
4-amino-2,2-dimethyl-4-(2-methyl-1H-indol-3-yl)butanoic acid
CID 116938506
1-N,1-N-dimethyl-1-(2-methyl-1H-indol-3-yl)propane-1,2-diamine
CID 82289370
(1R)-4-methyl-1-(2-methyl-1H-indol-3-yl)pentan-1-amine
CID 171206865
(1S)-3-fluoro-1-(2-methyl-1H-indol-3-yl)propan-1-amine;hydrochloride
CID 171226427

Frequently Asked Questions

What is the IUPAC name of (1S)-2,2-dimethyl-1-(2-methyl-1H-indol-3-yl)propan-1-amine?
The IUPAC name of (1S)-2,2-dimethyl-1-(2-methyl-1H-indol-3-yl)propan-1-amine (CID 131384165) is (1S)-2,2-dimethyl-1-(2-methyl-1H-indol-3-yl)propan-1-amine.
What is the SMILES notation for (1S)-2,2-dimethyl-1-(2-methyl-1H-indol-3-yl)propan-1-amine?
The canonical SMILES for (1S)-2,2-dimethyl-1-(2-methyl-1H-indol-3-yl)propan-1-amine is Cc1[nH]c2ccccc2c1[C@@H](N)C(C)(C)C.
What is the InChIKey of (1S)-2,2-dimethyl-1-(2-methyl-1H-indol-3-yl)propan-1-amine?
The InChIKey is VIHAMIQXWAPZOK-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H20N2/c1-9-12(13(15)14(2,3)4)10-7-5-6-8-11(10)16-9/h5-8,13,16H,15H2,1-4H3/t13-/m1/s1.
What are the key properties of (1S)-2,2-dimethyl-1-(2-methyl-1H-indol-3-yl)propan-1-amine?
(1S)-2,2-dimethyl-1-(2-methyl-1H-indol-3-yl)propan-1-amine has a molecular weight of 216.33 g/mol, XLogP of 3.52, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2,2-dimethyl-1-(2-methyl-1H-indol-3-yl)propan-1-amine is sourced from PubChem (CID 131384165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).