1-[2-amino-1-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine

C17H28N4 — CID 63166554

IUPAC1-[2-amino-1-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCN1CCc2cc(C(CN)N3CCC(N(C)C)C3)ccc21
InChIInChI=1S/C17H28N4/c1-19(2)15-7-9-21(12-15)17(11-18)13-4-5-16-14(10-13)6-8-20(16)3/h4-5,10,15,17H,6-9,11-12,18H2,1-3H3
InChIKeyMJNUCXLOTPAZEI-UHFFFAOYSA-N
MW288.44 g/mol
LogP1.31
Rot. Bonds4

About 1-[2-amino-1-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine

1-[2-amino-1-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine (PubChem CID 63166554) has the molecular formula C17H28N4 and a molecular weight of 288.44 g/mol. Its IUPAC name is 1-[2-amino-1-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[2-amino-1-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine
PubChem CID63166554
Molecular FormulaC17H28N4
Molecular Weight288.44 g/mol
Exact Mass288.23
IUPAC Name1-[2-amino-1-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine
SMILESCN1CCc2cc(C(CN)N3CCC(N(C)C)C3)ccc21
InChIInChI=1S/C17H28N4/c1-19(2)15-7-9-21(12-15)17(11-18)13-4-5-16-14(10-13)6-8-20(16)3/h4-5,10,15,17H,6-9,11-12,18H2,1-3H3
InChIKeyMJNUCXLOTPAZEI-UHFFFAOYSA-N
XLogP1.31
TPSA35.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Related Compounds

2-(3,4-dimethylpyrrolidin-1-yl)-2-(1-methyl-2,3-dihydroindol-5-yl)ethanamine
CID 79188674
2-(4-methylazepan-1-yl)-2-(1-methyl-2,3-dihydroindol-5-yl)ethanamine
CID 63624247
1-[2-amino-1-(4-methylphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 63166318
N-cyclopropyl-N-methyl-1-(1-methyl-2,3-dihydroindol-5-yl)ethane-1,2-diamine
CID 62096356
1-[2-amino-1-(3-bromo-4-methylphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 105404983
N-cyclopentyl-N-methyl-1-(1-methyl-2,3-dihydroindol-5-yl)ethane-1,2-diamine
CID 62096530
N-cyclopropyl-1-(1-methyl-2,3-dihydroindol-5-yl)-N-(2-methylpropyl)ethane-1,2-diamine
CID 62095166
(2R)-2-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-2-morpholin-4-ylethanamine
CID 51675118
1-[2-amino-1-(3-ethoxyphenyl)ethyl]-N,N-dimethylpyrrolidin-3-amine
CID 63166417
1-[2-amino-1-[4-(difluoromethyl)phenyl]ethyl]-N,N-dimethylpiperidin-3-amine
CID 115524400
N-methyl-1-(1-methyl-2,3-dihydroindol-5-yl)ethane-1,2-diamine
CID 62095660
N-[2-(dimethylamino)ethyl]-N-methyl-1-(1-methyl-2,3-dihydroindol-5-yl)ethane-1,2-diamine
CID 63694643

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-1-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine?
The IUPAC name of 1-[2-amino-1-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine (CID 63166554) is 1-[2-amino-1-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[2-amino-1-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine?
The canonical SMILES for 1-[2-amino-1-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine is CN1CCc2cc(C(CN)N3CCC(N(C)C)C3)ccc21.
What is the InChIKey of 1-[2-amino-1-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine?
The InChIKey is MJNUCXLOTPAZEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4/c1-19(2)15-7-9-21(12-15)17(11-18)13-4-5-16-14(10-13)6-8-20(16)3/h4-5,10,15,17H,6-9,11-12,18H2,1-3H3.
What are the key properties of 1-[2-amino-1-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine?
1-[2-amino-1-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine has a molecular weight of 288.44 g/mol, XLogP of 1.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-1-(1-methyl-2,3-dihydroindol-5-yl)ethyl]-N,N-dimethylpyrrolidin-3-amine is sourced from PubChem (CID 63166554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).