N-[2-(1H-indol-3-yl)ethyl]-3-methylbutan-2-amine

C15H22N2 — CID 43202427

IUPACN-[2-(1H-indol-3-yl)ethyl]-3-methylbutan-2-amine
SMILESCC(C)C(C)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C15H22N2/c1-11(2)12(3)16-9-8-13-10-17-15-7-5-4-6-14(13)15/h4-7,10-12,16-17H,8-9H2,1-3H3
InChIKeyDSKLQRRPMPODEW-UHFFFAOYSA-N
MW230.36 g/mol
LogP3.34
Rot. Bonds5

About N-[2-(1H-indol-3-yl)ethyl]-3-methylbutan-2-amine

N-[2-(1H-indol-3-yl)ethyl]-3-methylbutan-2-amine (PubChem CID 43202427) has the molecular formula C15H22N2 and a molecular weight of 230.36 g/mol. Its IUPAC name is N-[2-(1H-indol-3-yl)ethyl]-3-methylbutan-2-amine.

Molecular Properties

Compound NameN-[2-(1H-indol-3-yl)ethyl]-3-methylbutan-2-amine
PubChem CID43202427
Molecular FormulaC15H22N2
Molecular Weight230.36 g/mol
Exact Mass230.18
IUPAC NameN-[2-(1H-indol-3-yl)ethyl]-3-methylbutan-2-amine
SMILESCC(C)C(C)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C15H22N2/c1-11(2)12(3)16-9-8-13-10-17-15-7-5-4-6-14(13)15/h4-7,10-12,16-17H,8-9H2,1-3H3
InChIKeyDSKLQRRPMPODEW-UHFFFAOYSA-N
XLogP3.34
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

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2-[(1R)-1-[2-(1H-indol-3-yl)ethylamino]ethyl]aniline
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(2S)-2-amino-N-[2-(1H-indol-3-yl)ethyl]propanamide;hydrochloride
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3-[4-(1H-indol-3-yl)butyl]-1H-indole
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CID 111503815

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-3-methylbutan-2-amine?
The IUPAC name of N-[2-(1H-indol-3-yl)ethyl]-3-methylbutan-2-amine (CID 43202427) is N-[2-(1H-indol-3-yl)ethyl]-3-methylbutan-2-amine.
What is the SMILES notation for N-[2-(1H-indol-3-yl)ethyl]-3-methylbutan-2-amine?
The canonical SMILES for N-[2-(1H-indol-3-yl)ethyl]-3-methylbutan-2-amine is CC(C)C(C)NCCc1c[nH]c2ccccc12.
What is the InChIKey of N-[2-(1H-indol-3-yl)ethyl]-3-methylbutan-2-amine?
The InChIKey is DSKLQRRPMPODEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-11(2)12(3)16-9-8-13-10-17-15-7-5-4-6-14(13)15/h4-7,10-12,16-17H,8-9H2,1-3H3.
What are the key properties of N-[2-(1H-indol-3-yl)ethyl]-3-methylbutan-2-amine?
N-[2-(1H-indol-3-yl)ethyl]-3-methylbutan-2-amine has a molecular weight of 230.36 g/mol, XLogP of 3.34, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-indol-3-yl)ethyl]-3-methylbutan-2-amine is sourced from PubChem (CID 43202427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).