1-[2-(1H-indol-3-yl)ethyl]-2,2-dimethylcyclopropan-1-amine

C15H20N2 — CID 164664078

IUPAC1-[2-(1H-indol-3-yl)ethyl]-2,2-dimethylcyclopropan-1-amine
SMILESCC1(C)CC1(N)CCc1c[nH]c2ccccc12
InChIInChI=1S/C15H20N2/c1-14(2)10-15(14,16)8-7-11-9-17-13-6-4-3-5-12(11)13/h3-6,9,17H,7-8,10,16H2,1-2H3
InChIKeyJKSMABHFQVVNQN-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.23
Rot. Bonds3

About 1-[2-(1H-indol-3-yl)ethyl]-2,2-dimethylcyclopropan-1-amine

1-[2-(1H-indol-3-yl)ethyl]-2,2-dimethylcyclopropan-1-amine (PubChem CID 164664078) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is 1-[2-(1H-indol-3-yl)ethyl]-2,2-dimethylcyclopropan-1-amine.

Molecular Properties

Compound Name1-[2-(1H-indol-3-yl)ethyl]-2,2-dimethylcyclopropan-1-amine
PubChem CID164664078
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC Name1-[2-(1H-indol-3-yl)ethyl]-2,2-dimethylcyclopropan-1-amine
SMILESCC1(C)CC1(N)CCc1c[nH]c2ccccc12
InChIInChI=1S/C15H20N2/c1-14(2)10-15(14,16)8-7-11-9-17-13-6-4-3-5-12(11)13/h3-6,9,17H,7-8,10,16H2,1-2H3
InChIKeyJKSMABHFQVVNQN-UHFFFAOYSA-N
XLogP3.23
TPSA41.81 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

3-[4-(1H-indol-3-yl)butyl]-1H-indole
CID 57060044
8-(1H-indol-3-yl)octan-1-amine
CID 57188115
2-(1H-indol-3-yl)ethanamine;methyl hypoiodite
CID 143451156
4-(1H-indol-3-yl)butan-1-amine;hydrochloride
CID 53439494
1H-indol-3-ylmethanamine;hydrochloride
CID 52986033
acetic acid;2-(1H-indol-3-yl)ethanamine
CID 57357905
3-ethyl-1H-indole;methanamine
CID 142222050
3-heptyl-1H-indole
CID 15360907
3-[2-(1H-indol-3-yl)ethyl]-2H-pyrazine-2,3-diamine
CID 68639972
3-(2-pyrrolidin-1-ylethyl)-1H-indole
CID 26393
3-(1H-indol-3-yl)propane-1,1-diol
CID 22219738
N-amino-N-[2-(1H-indol-3-yl)ethyl]hydroxylamine
CID 174771229

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1H-indol-3-yl)ethyl]-2,2-dimethylcyclopropan-1-amine?
The IUPAC name of 1-[2-(1H-indol-3-yl)ethyl]-2,2-dimethylcyclopropan-1-amine (CID 164664078) is 1-[2-(1H-indol-3-yl)ethyl]-2,2-dimethylcyclopropan-1-amine.
What is the SMILES notation for 1-[2-(1H-indol-3-yl)ethyl]-2,2-dimethylcyclopropan-1-amine?
The canonical SMILES for 1-[2-(1H-indol-3-yl)ethyl]-2,2-dimethylcyclopropan-1-amine is CC1(C)CC1(N)CCc1c[nH]c2ccccc12.
What is the InChIKey of 1-[2-(1H-indol-3-yl)ethyl]-2,2-dimethylcyclopropan-1-amine?
The InChIKey is JKSMABHFQVVNQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-14(2)10-15(14,16)8-7-11-9-17-13-6-4-3-5-12(11)13/h3-6,9,17H,7-8,10,16H2,1-2H3.
What are the key properties of 1-[2-(1H-indol-3-yl)ethyl]-2,2-dimethylcyclopropan-1-amine?
1-[2-(1H-indol-3-yl)ethyl]-2,2-dimethylcyclopropan-1-amine has a molecular weight of 228.34 g/mol, XLogP of 3.23, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1H-indol-3-yl)ethyl]-2,2-dimethylcyclopropan-1-amine is sourced from PubChem (CID 164664078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).