N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-(3-methylbutyl)cyclopropanamine

C17H26N2 — CID 103998191

IUPACN-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-(3-methylbutyl)cyclopropanamine
SMILESCC(C)CCN(Cc1ccc2c(c1)CNC2)C1CC1
InChIInChI=1S/C17H26N2/c1-13(2)7-8-19(17-5-6-17)12-14-3-4-15-10-18-11-16(15)9-14/h3-4,9,13,17-18H,5-8,10-12H2,1-2H3
InChIKeyNZKCEBUJNGQVDS-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.30
Rot. Bonds6

About N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-(3-methylbutyl)cyclopropanamine

N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-(3-methylbutyl)cyclopropanamine (PubChem CID 103998191) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-(3-methylbutyl)cyclopropanamine.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-(3-methylbutyl)cyclopropanamine
PubChem CID103998191
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC NameN-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-(3-methylbutyl)cyclopropanamine
SMILESCC(C)CCN(Cc1ccc2c(c1)CNC2)C1CC1
InChIInChI=1S/C17H26N2/c1-13(2)7-8-19(17-5-6-17)12-14-3-4-15-10-18-11-16(15)9-14/h3-4,9,13,17-18H,5-8,10-12H2,1-2H3
InChIKeyNZKCEBUJNGQVDS-UHFFFAOYSA-N
XLogP3.30
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-methylcyclopropanamine
CID 103998027
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-prop-2-enylcyclopropanamine
CID 113363614
N-[[3-(aminomethyl)-4-fluorophenyl]methyl]-N-(3-methylbutyl)cyclopropanamine
CID 107878305
N-[(4-chloro-3-nitrophenyl)methyl]-N-(3-methylbutyl)cyclopropanamine
CID 78974069
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N,4,4-trimethylcyclohexan-1-amine
CID 103998380
N-(2,3-dihydro-1H-indol-5-ylmethyl)-N-(2-methylpropyl)cyclopropanamine
CID 55001070
4-[[cyclopentyl(3-methylbutyl)amino]methyl]benzonitrile
CID 78983163
3-[[cyclopentyl(3-methylbutyl)amino]methyl]benzonitrile
CID 78982950
N-(3-methylbutyl)-N-(1,2,3,4-tetrahydroisoquinolin-4-ylmethyl)cyclopropanamine
CID 79005146
N-[[2-fluoro-5-(methylaminomethyl)phenyl]methyl]-N-(3-methylbutyl)cyclopropanamine
CID 107453606
4-[[cyclopropyl(3-methylbutyl)amino]methyl]-2-methoxybenzenecarboximidamide
CID 106790755
5-[[cyclopropyl(3-methylbutyl)amino]methyl]-2-methoxybenzenecarboximidamide
CID 79005303

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-(3-methylbutyl)cyclopropanamine?
The IUPAC name of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-(3-methylbutyl)cyclopropanamine (CID 103998191) is N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-(3-methylbutyl)cyclopropanamine.
What is the SMILES notation for N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-(3-methylbutyl)cyclopropanamine?
The canonical SMILES for N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-(3-methylbutyl)cyclopropanamine is CC(C)CCN(Cc1ccc2c(c1)CNC2)C1CC1.
What is the InChIKey of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-(3-methylbutyl)cyclopropanamine?
The InChIKey is NZKCEBUJNGQVDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-13(2)7-8-19(17-5-6-17)12-14-3-4-15-10-18-11-16(15)9-14/h3-4,9,13,17-18H,5-8,10-12H2,1-2H3.
What are the key properties of N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-(3-methylbutyl)cyclopropanamine?
N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-(3-methylbutyl)cyclopropanamine has a molecular weight of 258.41 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-isoindol-5-ylmethyl)-N-(3-methylbutyl)cyclopropanamine is sourced from PubChem (CID 103998191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).