1-(aminomethyl)-N,N-dimethyl-2-(2-methylpropyl)-1,3-dihydroisoindol-4-amine

C15H25N3 — CID 82544961

IUPAC1-(aminomethyl)-N,N-dimethyl-2-(2-methylpropyl)-1,3-dihydroisoindol-4-amine
SMILESCC(C)CN1Cc2c(cccc2N(C)C)C1CN
InChIInChI=1S/C15H25N3/c1-11(2)9-18-10-13-12(15(18)8-16)6-5-7-14(13)17(3)4/h5-7,11,15H,8-10,16H2,1-4H3
InChIKeyNUXFHQVBGPXLBS-UHFFFAOYSA-N
MW247.39 g/mol
LogP2.22
Rot. Bonds4

About 1-(aminomethyl)-N,N-dimethyl-2-(2-methylpropyl)-1,3-dihydroisoindol-4-amine

1-(aminomethyl)-N,N-dimethyl-2-(2-methylpropyl)-1,3-dihydroisoindol-4-amine (PubChem CID 82544961) has the molecular formula C15H25N3 and a molecular weight of 247.39 g/mol. Its IUPAC name is 1-(aminomethyl)-N,N-dimethyl-2-(2-methylpropyl)-1,3-dihydroisoindol-4-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N,N-dimethyl-2-(2-methylpropyl)-1,3-dihydroisoindol-4-amine
PubChem CID82544961
Molecular FormulaC15H25N3
Molecular Weight247.39 g/mol
Exact Mass247.20
IUPAC Name1-(aminomethyl)-N,N-dimethyl-2-(2-methylpropyl)-1,3-dihydroisoindol-4-amine
SMILESCC(C)CN1Cc2c(cccc2N(C)C)C1CN
InChIInChI=1S/C15H25N3/c1-11(2)9-18-10-13-12(15(18)8-16)6-5-7-14(13)17(3)4/h5-7,11,15H,8-10,16H2,1-4H3
InChIKeyNUXFHQVBGPXLBS-UHFFFAOYSA-N
XLogP2.22
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.39
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(aminomethyl)-N,N-dimethyl-2-(1-phenylethyl)-1,3-dihydroisoindol-4-amine
CID 82544921
1-(aminomethyl)-N,N-dimethyl-2-phenyl-1,3-dihydroisoindol-4-amine
CID 82544949
1-(aminomethyl)-N,N-dimethyl-2-[2-(1,3-thiazol-2-yl)ethyl]-1,3-dihydroisoindol-4-amine
CID 110449655
1-[1-(aminomethyl)-4-methyl-1,3-dihydroisoindol-2-yl]propan-2-ol
CID 82545732
1-(aminomethyl)-N,N-dimethyl-2-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3-dihydroisoindol-4-amine
CID 110449667
1-(aminomethyl)-2-[3-(dimethylamino)phenyl]-N,N-dimethyl-1,3-dihydroisoindol-4-amine
CID 110449660
(2-ethyl-4-fluoro-1,3-dihydroisoindol-1-yl)methanamine
CID 82545658
1-[1-(aminomethyl)-5-chloro-4-methyl-1,3-dihydroisoindol-2-yl]propan-2-ol
CID 82544805
(4-methyl-2-propyl-1,3-dihydroisoindol-1-yl)methanamine
CID 82545739
[7-fluoro-4-methoxy-2-(2-methylpropyl)-1,3-dihydroisoindol-1-yl]methanamine
CID 82544857
4-[[3-(aminomethyl)-1,3-dihydrobenzo[e]isoindol-2-yl]methyl]-N,N-dimethylaniline
CID 110449763
(2-cyclopropyl-4-methyl-1,3-dihydroisoindol-1-yl)methanamine
CID 82545740

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N,N-dimethyl-2-(2-methylpropyl)-1,3-dihydroisoindol-4-amine?
The IUPAC name of 1-(aminomethyl)-N,N-dimethyl-2-(2-methylpropyl)-1,3-dihydroisoindol-4-amine (CID 82544961) is 1-(aminomethyl)-N,N-dimethyl-2-(2-methylpropyl)-1,3-dihydroisoindol-4-amine.
What is the SMILES notation for 1-(aminomethyl)-N,N-dimethyl-2-(2-methylpropyl)-1,3-dihydroisoindol-4-amine?
The canonical SMILES for 1-(aminomethyl)-N,N-dimethyl-2-(2-methylpropyl)-1,3-dihydroisoindol-4-amine is CC(C)CN1Cc2c(cccc2N(C)C)C1CN.
What is the InChIKey of 1-(aminomethyl)-N,N-dimethyl-2-(2-methylpropyl)-1,3-dihydroisoindol-4-amine?
The InChIKey is NUXFHQVBGPXLBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3/c1-11(2)9-18-10-13-12(15(18)8-16)6-5-7-14(13)17(3)4/h5-7,11,15H,8-10,16H2,1-4H3.
What are the key properties of 1-(aminomethyl)-N,N-dimethyl-2-(2-methylpropyl)-1,3-dihydroisoindol-4-amine?
1-(aminomethyl)-N,N-dimethyl-2-(2-methylpropyl)-1,3-dihydroisoindol-4-amine has a molecular weight of 247.39 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N,N-dimethyl-2-(2-methylpropyl)-1,3-dihydroisoindol-4-amine is sourced from PubChem (CID 82544961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).