(5,7-dimethyl-3-propan-2-yl-1H-indol-2-yl)methanamine

C14H20N2 — CID 84622450

IUPAC(5,7-dimethyl-3-propan-2-yl-1H-indol-2-yl)methanamine
SMILESCc1cc(C)c2[nH]c(CN)c(C(C)C)c2c1
InChIInChI=1S/C14H20N2/c1-8(2)13-11-6-9(3)5-10(4)14(11)16-12(13)7-15/h5-6,8,16H,7,15H2,1-4H3
InChIKeyKKSPKWRLFFSNIA-UHFFFAOYSA-N
MW216.33 g/mol
LogP3.37
Rot. Bonds2

About (5,7-dimethyl-3-propan-2-yl-1H-indol-2-yl)methanamine

(5,7-dimethyl-3-propan-2-yl-1H-indol-2-yl)methanamine (PubChem CID 84622450) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is (5,7-dimethyl-3-propan-2-yl-1H-indol-2-yl)methanamine.

Molecular Properties

Compound Name(5,7-dimethyl-3-propan-2-yl-1H-indol-2-yl)methanamine
PubChem CID84622450
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name(5,7-dimethyl-3-propan-2-yl-1H-indol-2-yl)methanamine
SMILESCc1cc(C)c2[nH]c(CN)c(C(C)C)c2c1
InChIInChI=1S/C14H20N2/c1-8(2)13-11-6-9(3)5-10(4)14(11)16-12(13)7-15/h5-6,8,16H,7,15H2,1-4H3
InChIKeyKKSPKWRLFFSNIA-UHFFFAOYSA-N
XLogP3.37
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 53.37
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

2,6,8-trimethyl-3-propan-2-yl-1H-quinolin-4-one
CID 62913487
N-methyl-1-(3,5,7-trimethyl-1H-indol-2-yl)methanamine
CID 83859630
3-methyl-3-(2,5,7-trimethyl-1H-indol-3-yl)butan-1-amine
CID 84631671
N-[[3-(2-aminoethyl)-5,7-dimethyl-1H-indol-2-yl]methyl]-N-methylprop-2-yn-1-amine
CID 162094017
4,6,8-trimethyl-1H-quinoline-2-thione
CID 2442311
4-[5,7-dimethyl-2-(4-methylphenyl)-1H-indol-3-yl]butan-1-amine
CID 4603225
1,3,6-trimethyl-9H-carbazole
CID 139213984
5,7-dimethyl-3-pentan-2-yl-1H-indole
CID 106985627
4-[2-(3,5-dimethoxyphenyl)-5,7-dimethyl-1H-indol-3-yl]butan-1-amine
CID 4566691
3-(aminomethyl)-6,8-dimethyl-1H-quinolin-2-one
CID 6487599
2-(3-bromo-5,7-dimethyl-1H-indol-2-yl)propan-2-amine
CID 84642841
2-[2-propan-2-yl-4-(2,4,6-trimethylphenyl)-1H-imidazol-5-yl]ethanamine
CID 95474593

Frequently Asked Questions

What is the IUPAC name of (5,7-dimethyl-3-propan-2-yl-1H-indol-2-yl)methanamine?
The IUPAC name of (5,7-dimethyl-3-propan-2-yl-1H-indol-2-yl)methanamine (CID 84622450) is (5,7-dimethyl-3-propan-2-yl-1H-indol-2-yl)methanamine.
What is the SMILES notation for (5,7-dimethyl-3-propan-2-yl-1H-indol-2-yl)methanamine?
The canonical SMILES for (5,7-dimethyl-3-propan-2-yl-1H-indol-2-yl)methanamine is Cc1cc(C)c2[nH]c(CN)c(C(C)C)c2c1.
What is the InChIKey of (5,7-dimethyl-3-propan-2-yl-1H-indol-2-yl)methanamine?
The InChIKey is KKSPKWRLFFSNIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-8(2)13-11-6-9(3)5-10(4)14(11)16-12(13)7-15/h5-6,8,16H,7,15H2,1-4H3.
What are the key properties of (5,7-dimethyl-3-propan-2-yl-1H-indol-2-yl)methanamine?
(5,7-dimethyl-3-propan-2-yl-1H-indol-2-yl)methanamine has a molecular weight of 216.33 g/mol, XLogP of 3.37, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5,7-dimethyl-3-propan-2-yl-1H-indol-2-yl)methanamine is sourced from PubChem (CID 84622450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).