N-[[7-(aminomethyl)-1-propan-2-ylindol-2-yl]methyl]cyclobutanamine

C17H25N3 — CID 117183919

IUPACN-[[7-(aminomethyl)-1-propan-2-ylindol-2-yl]methyl]cyclobutanamine
SMILESCC(C)n1c(CNC2CCC2)cc2cccc(CN)c21
InChIInChI=1S/C17H25N3/c1-12(2)20-16(11-19-15-7-4-8-15)9-13-5-3-6-14(10-18)17(13)20/h3,5-6,9,12,15,19H,4,7-8,10-11,18H2,1-2H3
InChIKeyXDUURRIOFYPVRW-UHFFFAOYSA-N
MW271.41 g/mol
LogP3.32
Rot. Bonds5

About N-[[7-(aminomethyl)-1-propan-2-ylindol-2-yl]methyl]cyclobutanamine

N-[[7-(aminomethyl)-1-propan-2-ylindol-2-yl]methyl]cyclobutanamine (PubChem CID 117183919) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is N-[[7-(aminomethyl)-1-propan-2-ylindol-2-yl]methyl]cyclobutanamine.

Molecular Properties

Compound NameN-[[7-(aminomethyl)-1-propan-2-ylindol-2-yl]methyl]cyclobutanamine
PubChem CID117183919
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC NameN-[[7-(aminomethyl)-1-propan-2-ylindol-2-yl]methyl]cyclobutanamine
SMILESCC(C)n1c(CNC2CCC2)cc2cccc(CN)c21
InChIInChI=1S/C17H25N3/c1-12(2)20-16(11-19-15-7-4-8-15)9-13-5-3-6-14(10-18)17(13)20/h3,5-6,9,12,15,19H,4,7-8,10-11,18H2,1-2H3
InChIKeyXDUURRIOFYPVRW-UHFFFAOYSA-N
XLogP3.32
TPSA42.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(7-chloro-1-propan-2-ylindol-2-yl)methyl]cyclopentanamine
CID 117184020
N-[[7-(aminomethyl)-1-propan-2-ylindol-3-yl]methyl]cyclopentanamine
CID 117182187
N-[[6-(aminomethyl)-1-propan-2-ylindol-2-yl]methyl]cyclopentanamine
CID 117180455
2-[(cyclopentylamino)methyl]-1-propan-2-ylindol-5-amine
CID 117177103
N-[(5-chloro-1-propan-2-ylindol-2-yl)methyl]cyclopentanamine
CID 117177106
N-[(1-methylindol-2-yl)methyl]cyclobutanamine
CID 117173088
2-[(cyclopropylamino)methyl]-1-propan-2-ylindol-6-ol
CID 117180534
N-[[7-(aminomethyl)-1-methylindol-3-yl]methyl]cyclopropanamine
CID 117181659
2-[(cyclopropylamino)methyl]-1-propan-2-ylindole-6-carboxylic acid
CID 117180869
5-[(cyclopentylamino)methyl]-1-propan-2-ylimidazol-2-amine
CID 117192903
N-[(2-methyl-3-propan-2-ylimidazol-4-yl)methyl]cyclopentanamine
CID 117192902
N-[(2,3-difluorophenyl)methyl]-1-propan-2-ylpiperidin-4-amine
CID 63669754

Frequently Asked Questions

What is the IUPAC name of N-[[7-(aminomethyl)-1-propan-2-ylindol-2-yl]methyl]cyclobutanamine?
The IUPAC name of N-[[7-(aminomethyl)-1-propan-2-ylindol-2-yl]methyl]cyclobutanamine (CID 117183919) is N-[[7-(aminomethyl)-1-propan-2-ylindol-2-yl]methyl]cyclobutanamine.
What is the SMILES notation for N-[[7-(aminomethyl)-1-propan-2-ylindol-2-yl]methyl]cyclobutanamine?
The canonical SMILES for N-[[7-(aminomethyl)-1-propan-2-ylindol-2-yl]methyl]cyclobutanamine is CC(C)n1c(CNC2CCC2)cc2cccc(CN)c21.
What is the InChIKey of N-[[7-(aminomethyl)-1-propan-2-ylindol-2-yl]methyl]cyclobutanamine?
The InChIKey is XDUURRIOFYPVRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-12(2)20-16(11-19-15-7-4-8-15)9-13-5-3-6-14(10-18)17(13)20/h3,5-6,9,12,15,19H,4,7-8,10-11,18H2,1-2H3.
What are the key properties of N-[[7-(aminomethyl)-1-propan-2-ylindol-2-yl]methyl]cyclobutanamine?
N-[[7-(aminomethyl)-1-propan-2-ylindol-2-yl]methyl]cyclobutanamine has a molecular weight of 271.41 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-(aminomethyl)-1-propan-2-ylindol-2-yl]methyl]cyclobutanamine is sourced from PubChem (CID 117183919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).