2-[(dimethylamino)methyl]-1-propan-2-ylindol-5-amine

C14H21N3 — CID 117177120

IUPAC2-[(dimethylamino)methyl]-1-propan-2-ylindol-5-amine
SMILESCC(C)n1c(CN(C)C)cc2cc(N)ccc21
InChIInChI=1S/C14H21N3/c1-10(2)17-13(9-16(3)4)8-11-7-12(15)5-6-14(11)17/h5-8,10H,9,15H2,1-4H3
InChIKeyAZHZWRYKPGUWLZ-UHFFFAOYSA-N
MW231.34 g/mol
LogP2.87
Rot. Bonds3

About 2-[(dimethylamino)methyl]-1-propan-2-ylindol-5-amine

2-[(dimethylamino)methyl]-1-propan-2-ylindol-5-amine (PubChem CID 117177120) has the molecular formula C14H21N3 and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-[(dimethylamino)methyl]-1-propan-2-ylindol-5-amine.

Molecular Properties

Compound Name2-[(dimethylamino)methyl]-1-propan-2-ylindol-5-amine
PubChem CID117177120
Molecular FormulaC14H21N3
Molecular Weight231.34 g/mol
Exact Mass231.17
IUPAC Name2-[(dimethylamino)methyl]-1-propan-2-ylindol-5-amine
SMILESCC(C)n1c(CN(C)C)cc2cc(N)ccc21
InChIInChI=1S/C14H21N3/c1-10(2)17-13(9-16(3)4)8-11-7-12(15)5-6-14(11)17/h5-8,10H,9,15H2,1-4H3
InChIKeyAZHZWRYKPGUWLZ-UHFFFAOYSA-N
XLogP2.87
TPSA34.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 52.87
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

(5-amino-1-propan-2-ylindol-2-yl)methanol
CID 117177413
2-[(cyclopentylamino)methyl]-1-propan-2-ylindol-5-amine
CID 117177103
1-methyl-2-(propan-2-yloxymethyl)indol-5-amine
CID 117176882
1-(4-bromo-1-propan-2-ylindol-2-yl)-N,N-dimethylmethanamine
CID 117173714
2-(ethylaminomethyl)-1-propan-2-ylindol-6-amine
CID 117180819
(5-methoxy-1-propan-2-ylindol-2-yl)methanamine
CID 83860138
2-(1-propan-2-ylindol-2-yl)ethanamine
CID 83860167
O-[(1-propan-2-ylindol-2-yl)methyl]hydroxylamine
CID 117194314
2-(5-fluoro-1-propan-2-ylindol-2-yl)acetic acid
CID 83860165
1-(5-fluoro-1-propan-2-ylindol-2-yl)propan-2-one
CID 117195257
2-(5-chloro-1-propan-2-ylindol-2-yl)acetic acid
CID 117121626
3-(5-bromo-1-propan-2-ylindol-2-yl)propan-1-amine
CID 117121603

Frequently Asked Questions

What is the IUPAC name of 2-[(dimethylamino)methyl]-1-propan-2-ylindol-5-amine?
The IUPAC name of 2-[(dimethylamino)methyl]-1-propan-2-ylindol-5-amine (CID 117177120) is 2-[(dimethylamino)methyl]-1-propan-2-ylindol-5-amine.
What is the SMILES notation for 2-[(dimethylamino)methyl]-1-propan-2-ylindol-5-amine?
The canonical SMILES for 2-[(dimethylamino)methyl]-1-propan-2-ylindol-5-amine is CC(C)n1c(CN(C)C)cc2cc(N)ccc21.
What is the InChIKey of 2-[(dimethylamino)methyl]-1-propan-2-ylindol-5-amine?
The InChIKey is AZHZWRYKPGUWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3/c1-10(2)17-13(9-16(3)4)8-11-7-12(15)5-6-14(11)17/h5-8,10H,9,15H2,1-4H3.
What are the key properties of 2-[(dimethylamino)methyl]-1-propan-2-ylindol-5-amine?
2-[(dimethylamino)methyl]-1-propan-2-ylindol-5-amine has a molecular weight of 231.34 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(dimethylamino)methyl]-1-propan-2-ylindol-5-amine is sourced from PubChem (CID 117177120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).