1-tert-butyl-3-[(dimethylamino)methyl]-2,3-dihydroindol-6-amine

C15H25N3 — CID 141119720

IUPAC1-tert-butyl-3-[(dimethylamino)methyl]-2,3-dihydroindol-6-amine
SMILESCN(C)CC1CN(C(C)(C)C)c2cc(N)ccc21
InChIInChI=1S/C15H25N3/c1-15(2,3)18-10-11(9-17(4)5)13-7-6-12(16)8-14(13)18/h6-8,11H,9-10,16H2,1-5H3
InChIKeySJJYVDPVGLTWCN-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.53
Rot. Bonds2

About 1-tert-butyl-3-[(dimethylamino)methyl]-2,3-dihydroindol-6-amine

1-tert-butyl-3-[(dimethylamino)methyl]-2,3-dihydroindol-6-amine (PubChem CID 141119720) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 1-tert-butyl-3-[(dimethylamino)methyl]-2,3-dihydroindol-6-amine.

Molecular Properties

Compound Name1-tert-butyl-3-[(dimethylamino)methyl]-2,3-dihydroindol-6-amine
PubChem CID141119720
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name1-tert-butyl-3-[(dimethylamino)methyl]-2,3-dihydroindol-6-amine
SMILESCN(C)CC1CN(C(C)(C)C)c2cc(N)ccc21
InChIInChI=1S/C15H25N3/c1-15(2,3)18-10-11(9-17(4)5)13-7-6-12(16)8-14(13)18/h6-8,11H,9-10,16H2,1-5H3
InChIKeySJJYVDPVGLTWCN-UHFFFAOYSA-N
XLogP2.53
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(5-amino-2-fluorophenyl)sulfonyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66055391
1-(5-amino-2-bromophenyl)sulfonyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66056778
[6-amino-1-(4-methoxyphenyl)-2,3-dihydroindol-3-yl]methanol
CID 86097964
2-chloro-1-N-[3-(dimethylamino)-2,2-dimethylpropyl]benzene-1,4-diamine
CID 28903125
4-[4-[(dimethylamino)methyl]piperidin-1-yl]-3-fluoroaniline
CID 54985871
4-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-3-(trifluoromethyl)aniline
CID 62885220
1-(4-amino-2-fluorophenyl)sulfonyl-5-[(dimethylamino)methyl]pyrrolidin-3-ol
CID 66056572
(6S)-6-[(dimethylamino)methyl]-5,6,7,8-tetrahydronaphthalen-2-amine
CID 58289871
1-(2-methylbutan-2-yl)-3,4-dihydro-2H-quinolin-7-amine
CID 170315346
(1aR,7bS)-3,6-ditert-butyl-1,1a,2,7b-tetrahydrocyclopropa[c]quinoline
CID 176615638
1-N-methyl-1-N-[(1-methylpyrrolidin-3-yl)methyl]-2,3-dihydro-1H-indene-1,5-diamine
CID 79740810
3-chloro-4-[(dimethylamino)methyl]aniline;dihydrochloride
CID 52983627

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-[(dimethylamino)methyl]-2,3-dihydroindol-6-amine?
The IUPAC name of 1-tert-butyl-3-[(dimethylamino)methyl]-2,3-dihydroindol-6-amine (CID 141119720) is 1-tert-butyl-3-[(dimethylamino)methyl]-2,3-dihydroindol-6-amine.
What is the SMILES notation for 1-tert-butyl-3-[(dimethylamino)methyl]-2,3-dihydroindol-6-amine?
The canonical SMILES for 1-tert-butyl-3-[(dimethylamino)methyl]-2,3-dihydroindol-6-amine is CN(C)CC1CN(C(C)(C)C)c2cc(N)ccc21.
What is the InChIKey of 1-tert-butyl-3-[(dimethylamino)methyl]-2,3-dihydroindol-6-amine?
The InChIKey is SJJYVDPVGLTWCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-15(2,3)18-10-11(9-17(4)5)13-7-6-12(16)8-14(13)18/h6-8,11H,9-10,16H2,1-5H3.
What are the key properties of 1-tert-butyl-3-[(dimethylamino)methyl]-2,3-dihydroindol-6-amine?
1-tert-butyl-3-[(dimethylamino)methyl]-2,3-dihydroindol-6-amine has a molecular weight of 247.39 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-[(dimethylamino)methyl]-2,3-dihydroindol-6-amine is sourced from PubChem (CID 141119720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).