3-(2-amino-2-methylpropyl)-1H-indol-5-amine;dihydrochloride

C12H19Cl2N3 — CID 174431068

IUPAC3-(2-amino-2-methylpropyl)-1H-indol-5-amine;dihydrochloride
SMILESCC(C)(N)Cc1c[nH]c2ccc(N)cc12.Cl.Cl
InChIInChI=1S/C12H17N3.2ClH/c1-12(2,14)6-8-7-15-11-4-3-9(13)5-10(8)11;;/h3-5,7,15H,6,13-14H2,1-2H3;2*1H
InChIKeyRXSWDZBHEAVDSW-UHFFFAOYSA-N
MW276.21 g/mol
LogP2.87
Rot. Bonds2

About 3-(2-amino-2-methylpropyl)-1H-indol-5-amine;dihydrochloride

3-(2-amino-2-methylpropyl)-1H-indol-5-amine;dihydrochloride (PubChem CID 174431068) has the molecular formula C12H19Cl2N3 and a molecular weight of 276.21 g/mol. Its IUPAC name is 3-(2-amino-2-methylpropyl)-1H-indol-5-amine;dihydrochloride.

Molecular Properties

Compound Name3-(2-amino-2-methylpropyl)-1H-indol-5-amine;dihydrochloride
PubChem CID174431068
Molecular FormulaC12H19Cl2N3
Molecular Weight276.21 g/mol
Exact Mass275.10
IUPAC Name3-(2-amino-2-methylpropyl)-1H-indol-5-amine;dihydrochloride
SMILESCC(C)(N)Cc1c[nH]c2ccc(N)cc12.Cl.Cl
InChIInChI=1S/C12H17N3.2ClH/c1-12(2,14)6-8-7-15-11-4-3-9(13)5-10(8)11;;/h3-5,7,15H,6,13-14H2,1-2H3;2*1H
InChIKeyRXSWDZBHEAVDSW-UHFFFAOYSA-N
XLogP2.87
TPSA67.83 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.21
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

3-(2-amino-2-methylpropyl)-1H-indole-5-carboxamide
CID 20806603
1-(5,6-dimethyl-1H-indol-3-yl)-2-methylpropan-2-amine
CID 98010705
2-[[3-(2-amino-2-methylpropyl)-1H-indol-5-yl]oxy]acetonitrile
CID 20806577
2-(5-amino-1H-indol-3-yl)acetic acid
CID 24974925
3-[2-(dimethylamino)ethyl]-1H-indol-5-amine
CID 11820211
2-methyl-1-(5-phenylmethoxy-1H-indol-3-yl)propan-2-amine
CID 15137731
1-(6-chloro-5-methyl-1H-indol-3-yl)-2-methylpropan-2-amine
CID 96594113
3-(1-amino-2-methylpropan-2-yl)-1H-indol-5-amine
CID 174508163
methyl 2-amino-3-(5-amino-1H-indol-3-yl)propanoate
CID 22669210
ethyl 2-amino-3-(5-amino-1H-indol-3-yl)propanoate
CID 10890233
(4S)-4-[[3-(2-amino-2-methylpropyl)-1H-indol-5-yl]methyl]-1,3-oxazolidine-2-carbaldehyde
CID 174624916
2-[(5-amino-1H-indol-3-yl)methoxy]phenol
CID 117175069

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-2-methylpropyl)-1H-indol-5-amine;dihydrochloride?
The IUPAC name of 3-(2-amino-2-methylpropyl)-1H-indol-5-amine;dihydrochloride (CID 174431068) is 3-(2-amino-2-methylpropyl)-1H-indol-5-amine;dihydrochloride.
What is the SMILES notation for 3-(2-amino-2-methylpropyl)-1H-indol-5-amine;dihydrochloride?
The canonical SMILES for 3-(2-amino-2-methylpropyl)-1H-indol-5-amine;dihydrochloride is CC(C)(N)Cc1c[nH]c2ccc(N)cc12.Cl.Cl.
What is the InChIKey of 3-(2-amino-2-methylpropyl)-1H-indol-5-amine;dihydrochloride?
The InChIKey is RXSWDZBHEAVDSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3.2ClH/c1-12(2,14)6-8-7-15-11-4-3-9(13)5-10(8)11;;/h3-5,7,15H,6,13-14H2,1-2H3;2*1H.
What are the key properties of 3-(2-amino-2-methylpropyl)-1H-indol-5-amine;dihydrochloride?
3-(2-amino-2-methylpropyl)-1H-indol-5-amine;dihydrochloride has a molecular weight of 276.21 g/mol, XLogP of 2.87, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-2-methylpropyl)-1H-indol-5-amine;dihydrochloride is sourced from PubChem (CID 174431068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).