[3-[(dimethylamino)methyl]-1-propan-2-ylindol-7-yl]methanamine

C15H23N3 — CID 117182193

IUPAC[3-[(dimethylamino)methyl]-1-propan-2-ylindol-7-yl]methanamine
SMILESCC(C)n1cc(CN(C)C)c2cccc(CN)c21
InChIInChI=1S/C15H23N3/c1-11(2)18-10-13(9-17(3)4)14-7-5-6-12(8-16)15(14)18/h5-7,10-11H,8-9,16H2,1-4H3
InChIKeyYMUSGILDFUQGJV-UHFFFAOYSA-N
MW245.37 g/mol
LogP2.74
Rot. Bonds4

About [3-[(dimethylamino)methyl]-1-propan-2-ylindol-7-yl]methanamine

[3-[(dimethylamino)methyl]-1-propan-2-ylindol-7-yl]methanamine (PubChem CID 117182193) has the molecular formula C15H23N3 and a molecular weight of 245.37 g/mol. Its IUPAC name is [3-[(dimethylamino)methyl]-1-propan-2-ylindol-7-yl]methanamine.

Molecular Properties

Compound Name[3-[(dimethylamino)methyl]-1-propan-2-ylindol-7-yl]methanamine
PubChem CID117182193
Molecular FormulaC15H23N3
Molecular Weight245.37 g/mol
Exact Mass245.19
IUPAC Name[3-[(dimethylamino)methyl]-1-propan-2-ylindol-7-yl]methanamine
SMILESCC(C)n1cc(CN(C)C)c2cccc(CN)c21
InChIInChI=1S/C15H23N3/c1-11(2)18-10-13(9-17(3)4)14-7-5-6-12(8-16)15(14)18/h5-7,10-11H,8-9,16H2,1-4H3
InChIKeyYMUSGILDFUQGJV-UHFFFAOYSA-N
XLogP2.74
TPSA34.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[3-(methylaminomethyl)-1-propan-2-ylindol-7-yl]methanamine
CID 117182192
[3-[(dimethylamino)methyl]-1-propan-2-ylindol-4-yl]methanamine
CID 117171620
[3-(methylsulfonylmethyl)-1-propan-2-ylindol-7-yl]methanamine
CID 117182209
N-[[7-(aminomethyl)-1-propan-2-ylindol-3-yl]methyl]cyclopentanamine
CID 117182187
[2-[(dimethylamino)methyl]phenyl]methanamine
CID 4962718
3-(hydroxymethyl)-1-propan-2-ylindol-7-ol
CID 117182602
N,N-dimethyl-1-(4-methyl-1-propan-2-ylindol-3-yl)methanamine
CID 117184616
O-[(7-chloro-1-propan-2-ylindol-3-yl)methyl]hydroxylamine
CID 117197683
2-[1-propan-2-yl-7-(trifluoromethyl)indol-3-yl]ethanamine
CID 117197355
2-(7-bromo-1-propan-2-ylindol-3-yl)ethanol
CID 117197647
1-(7-bromo-1-propan-2-ylindol-3-yl)-N-methylmethanamine
CID 117182310
3-(aminooxymethyl)-1-propan-2-ylindol-7-ol
CID 117197927

Frequently Asked Questions

What is the IUPAC name of [3-[(dimethylamino)methyl]-1-propan-2-ylindol-7-yl]methanamine?
The IUPAC name of [3-[(dimethylamino)methyl]-1-propan-2-ylindol-7-yl]methanamine (CID 117182193) is [3-[(dimethylamino)methyl]-1-propan-2-ylindol-7-yl]methanamine.
What is the SMILES notation for [3-[(dimethylamino)methyl]-1-propan-2-ylindol-7-yl]methanamine?
The canonical SMILES for [3-[(dimethylamino)methyl]-1-propan-2-ylindol-7-yl]methanamine is CC(C)n1cc(CN(C)C)c2cccc(CN)c21.
What is the InChIKey of [3-[(dimethylamino)methyl]-1-propan-2-ylindol-7-yl]methanamine?
The InChIKey is YMUSGILDFUQGJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3/c1-11(2)18-10-13(9-17(3)4)14-7-5-6-12(8-16)15(14)18/h5-7,10-11H,8-9,16H2,1-4H3.
What are the key properties of [3-[(dimethylamino)methyl]-1-propan-2-ylindol-7-yl]methanamine?
[3-[(dimethylamino)methyl]-1-propan-2-ylindol-7-yl]methanamine has a molecular weight of 245.37 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(dimethylamino)methyl]-1-propan-2-ylindol-7-yl]methanamine is sourced from PubChem (CID 117182193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).