1-(1,7-dimethylindol-2-yl)butan-2-amine;hydrochloride

C14H21ClN2 — CID 170890669

IUPAC1-(1,7-dimethylindol-2-yl)butan-2-amine;hydrochloride
SMILESCCC(N)Cc1cc2cccc(C)c2n1C.Cl
InChIInChI=1S/C14H20N2.ClH/c1-4-12(15)9-13-8-11-7-5-6-10(2)14(11)16(13)3;/h5-8,12H,4,9,15H2,1-3H3;1H
InChIKeyXFQQWBWQORKIBN-UHFFFAOYSA-N
MW252.79 g/mol
LogP3.19
Rot. Bonds3

About 1-(1,7-dimethylindol-2-yl)butan-2-amine;hydrochloride

1-(1,7-dimethylindol-2-yl)butan-2-amine;hydrochloride (PubChem CID 170890669) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is 1-(1,7-dimethylindol-2-yl)butan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-(1,7-dimethylindol-2-yl)butan-2-amine;hydrochloride
PubChem CID170890669
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name1-(1,7-dimethylindol-2-yl)butan-2-amine;hydrochloride
SMILESCCC(N)Cc1cc2cccc(C)c2n1C.Cl
InChIInChI=1S/C14H20N2.ClH/c1-4-12(15)9-13-8-11-7-5-6-10(2)14(11)16(13)3;/h5-8,12H,4,9,15H2,1-3H3;1H
InChIKeyXFQQWBWQORKIBN-UHFFFAOYSA-N
XLogP3.19
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-methylindol-2-yl)butan-2-amine
CID 131504320
3-(1,7-dimethylindol-2-yl)-2-methylpropanoic acid
CID 83859980
N-[(1,7-dimethylindol-2-yl)methyl]ethanamine
CID 117186537
1-(1-ethyl-7-methylindol-2-yl)propan-2-amine
CID 117196697
1-(7-methyl-1H-indol-2-yl)butan-2-amine
CID 131625408
3-(2-aminobutyl)-1-azatricyclo[7.3.1.05,13]trideca-3,5(13),6,8-tetraen-2-one;hydrochloride
CID 170889347
2-[(4-fluorophenoxy)methyl]-1,7-dimethylindole
CID 117186521
2-(ethylsulfanylmethyl)-7-methyl-1-propan-2-ylindole
CID 117186618
2-amino-3-(1-methylindol-2-yl)propan-1-ol;ethane
CID 143481750
3-(1-ethyl-7-methylindol-2-yl)-2-methylpropanoic acid
CID 117196710
(2S)-1-naphthalen-1-ylbutan-2-amine
CID 178163209
1-[1-methyl-7-(trifluoromethyl)indol-2-yl]propan-2-ol
CID 117196538

Frequently Asked Questions

What is the IUPAC name of 1-(1,7-dimethylindol-2-yl)butan-2-amine;hydrochloride?
The IUPAC name of 1-(1,7-dimethylindol-2-yl)butan-2-amine;hydrochloride (CID 170890669) is 1-(1,7-dimethylindol-2-yl)butan-2-amine;hydrochloride.
What is the SMILES notation for 1-(1,7-dimethylindol-2-yl)butan-2-amine;hydrochloride?
The canonical SMILES for 1-(1,7-dimethylindol-2-yl)butan-2-amine;hydrochloride is CCC(N)Cc1cc2cccc(C)c2n1C.Cl.
What is the InChIKey of 1-(1,7-dimethylindol-2-yl)butan-2-amine;hydrochloride?
The InChIKey is XFQQWBWQORKIBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2.ClH/c1-4-12(15)9-13-8-11-7-5-6-10(2)14(11)16(13)3;/h5-8,12H,4,9,15H2,1-3H3;1H.
What are the key properties of 1-(1,7-dimethylindol-2-yl)butan-2-amine;hydrochloride?
1-(1,7-dimethylindol-2-yl)butan-2-amine;hydrochloride has a molecular weight of 252.79 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,7-dimethylindol-2-yl)butan-2-amine;hydrochloride is sourced from PubChem (CID 170890669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).