N,N-dimethyl-2,3-dihydro-1H-indol-5-amine;dihydrochloride

C10H16Cl2N2 — CID 139022525

IUPACN,N-dimethyl-2,3-dihydro-1H-indol-5-amine;dihydrochloride
SMILESCN(C)c1ccc2c(c1)CCN2.Cl.Cl
InChIInChI=1S/C10H14N2.2ClH/c1-12(2)9-3-4-10-8(7-9)5-6-11-10;;/h3-4,7,11H,5-6H2,1-2H3;2*1H
InChIKeyKEPVCOLUDOIINC-UHFFFAOYSA-N
MW235.16 g/mol
LogP2.56
Rot. Bonds1

About N,N-dimethyl-2,3-dihydro-1H-indol-5-amine;dihydrochloride

N,N-dimethyl-2,3-dihydro-1H-indol-5-amine;dihydrochloride (PubChem CID 139022525) has the molecular formula C10H16Cl2N2 and a molecular weight of 235.16 g/mol. Its IUPAC name is N,N-dimethyl-2,3-dihydro-1H-indol-5-amine;dihydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-2,3-dihydro-1H-indol-5-amine;dihydrochloride
PubChem CID139022525
Molecular FormulaC10H16Cl2N2
Molecular Weight235.16 g/mol
Exact Mass234.07
IUPAC NameN,N-dimethyl-2,3-dihydro-1H-indol-5-amine;dihydrochloride
SMILESCN(C)c1ccc2c(c1)CCN2.Cl.Cl
InChIInChI=1S/C10H14N2.2ClH/c1-12(2)9-3-4-10-8(7-9)5-6-11-10;;/h3-4,7,11H,5-6H2,1-2H3;2*1H
InChIKeyKEPVCOLUDOIINC-UHFFFAOYSA-N
XLogP2.56
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.16
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N,N-dimethyl-2,3-dihydro-1H-indol-5-amine
CID 16767807
7-(dimethylamino)-1,2,3,5-tetrahydro-1-benzazepin-4-one
CID 82396575
1-(2,3-dihydro-1H-indol-5-yl)-1,2-dimethylguanidine
CID 139724628
N,N-dimethyl-4-(1,2,3,4-tetrahydroquinolin-6-yl)aniline
CID 39232365
N-methyl-2,3-dihydro-1H-indol-5-amine;dihydrochloride
CID 175177569
N-cyclopentyl-N-methyl-1,2,3,4-tetrahydroquinolin-6-amine
CID 81215049
N-cycloheptyl-N-methyl-1,2,3,4-tetrahydroquinolin-6-amine
CID 81215282
N,N,N'-trimethyl-N'-(1,2,3,4-tetrahydroquinolin-6-yl)ethane-1,2-diamine
CID 81214955
N-(2,2-dimethylpropyl)-N-methyl-1,2,3,4-tetrahydroquinolin-6-amine
CID 81215158
N-methyl-N-(4-methylcyclohexyl)-1,2,3,4-tetrahydroquinolin-6-amine
CID 81214992
N-methyl-N-(2-methylbutan-2-yl)-1,2,3,4-tetrahydroquinolin-6-amine
CID 81215327
5-ethylsulfonyl-2,3-dihydro-1H-indole
CID 134176519

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2,3-dihydro-1H-indol-5-amine;dihydrochloride?
The IUPAC name of N,N-dimethyl-2,3-dihydro-1H-indol-5-amine;dihydrochloride (CID 139022525) is N,N-dimethyl-2,3-dihydro-1H-indol-5-amine;dihydrochloride.
What is the SMILES notation for N,N-dimethyl-2,3-dihydro-1H-indol-5-amine;dihydrochloride?
The canonical SMILES for N,N-dimethyl-2,3-dihydro-1H-indol-5-amine;dihydrochloride is CN(C)c1ccc2c(c1)CCN2.Cl.Cl.
What is the InChIKey of N,N-dimethyl-2,3-dihydro-1H-indol-5-amine;dihydrochloride?
The InChIKey is KEPVCOLUDOIINC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2.2ClH/c1-12(2)9-3-4-10-8(7-9)5-6-11-10;;/h3-4,7,11H,5-6H2,1-2H3;2*1H.
What are the key properties of N,N-dimethyl-2,3-dihydro-1H-indol-5-amine;dihydrochloride?
N,N-dimethyl-2,3-dihydro-1H-indol-5-amine;dihydrochloride has a molecular weight of 235.16 g/mol, XLogP of 2.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2,3-dihydro-1H-indol-5-amine;dihydrochloride is sourced from PubChem (CID 139022525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).