N-(2-methylbutyl)-1H-indol-3-amine

C13H18N2 — CID 175206983

IUPACN-(2-methylbutyl)-1H-indol-3-amine
SMILESCCC(C)CNc1c[nH]c2ccccc12
InChIInChI=1S/C13H18N2/c1-3-10(2)8-14-13-9-15-12-7-5-4-6-11(12)13/h4-7,9-10,14-15H,3,8H2,1-2H3
InChIKeyRGHJZIUFCDAOCF-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.63
Rot. Bonds4

About N-(2-methylbutyl)-1H-indol-3-amine

N-(2-methylbutyl)-1H-indol-3-amine (PubChem CID 175206983) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is N-(2-methylbutyl)-1H-indol-3-amine.

Molecular Properties

Compound NameN-(2-methylbutyl)-1H-indol-3-amine
PubChem CID175206983
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC NameN-(2-methylbutyl)-1H-indol-3-amine
SMILESCCC(C)CNc1c[nH]c2ccccc12
InChIInChI=1S/C13H18N2/c1-3-10(2)8-14-13-9-15-12-7-5-4-6-11(12)13/h4-7,9-10,14-15H,3,8H2,1-2H3
InChIKeyRGHJZIUFCDAOCF-UHFFFAOYSA-N
XLogP3.63
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

N-ethyl-1H-indol-3-amine
CID 22497863
N'-(1H-indol-3-yl)-2-propan-2-ylpropane-1,3-diamine
CID 115252326
methyl 2-[(1H-indol-3-ylamino)methyl]butanoate
CID 115252999
N-(1H-indol-3-yl)-N'-propan-2-ylethane-1,2-diamine
CID 115206245
1-N-(1H-indol-3-yl)butane-1,3-diamine
CID 115199018
N'-(1H-indol-3-yl)methanediamine
CID 115225408
N-(2-methylbutyl)-1H-indole-3-carboxamide
CID 62694409
N'-(1H-indol-3-yl)-N-methylethane-1,2-diamine
CID 115195726
N-prop-2-ynyl-1H-indol-3-amine
CID 57486159
N'-(1H-indol-3-yl)-N-methylbutane-1,4-diamine
CID 115201685
1-[(2R)-butan-2-yl]-3-(1H-indol-3-yl)urea
CID 7615931
1-N-(1H-indol-3-yl)-3-methylbutane-1,3-diamine
CID 115200367

Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutyl)-1H-indol-3-amine?
The IUPAC name of N-(2-methylbutyl)-1H-indol-3-amine (CID 175206983) is N-(2-methylbutyl)-1H-indol-3-amine.
What is the SMILES notation for N-(2-methylbutyl)-1H-indol-3-amine?
The canonical SMILES for N-(2-methylbutyl)-1H-indol-3-amine is CCC(C)CNc1c[nH]c2ccccc12.
What is the InChIKey of N-(2-methylbutyl)-1H-indol-3-amine?
The InChIKey is RGHJZIUFCDAOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-3-10(2)8-14-13-9-15-12-7-5-4-6-11(12)13/h4-7,9-10,14-15H,3,8H2,1-2H3.
What are the key properties of N-(2-methylbutyl)-1H-indol-3-amine?
N-(2-methylbutyl)-1H-indol-3-amine has a molecular weight of 202.30 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutyl)-1H-indol-3-amine is sourced from PubChem (CID 175206983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).