N,N-dipropyl-4,5,6,7-tetrahydro-2H-isoindol-5-amine

C14H24N2 — CID 15571647

IUPACN,N-dipropyl-4,5,6,7-tetrahydro-2H-isoindol-5-amine
SMILESCCCN(CCC)C1CCc2c[nH]cc2C1
InChIInChI=1S/C14H24N2/c1-3-7-16(8-4-2)14-6-5-12-10-15-11-13(12)9-14/h10-11,14-15H,3-9H2,1-2H3
InChIKeyWYGARRMLDGJGNL-UHFFFAOYSA-N
MW220.36 g/mol
LogP2.99
Rot. Bonds5

About N,N-dipropyl-4,5,6,7-tetrahydro-2H-isoindol-5-amine

N,N-dipropyl-4,5,6,7-tetrahydro-2H-isoindol-5-amine (PubChem CID 15571647) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is N,N-dipropyl-4,5,6,7-tetrahydro-2H-isoindol-5-amine.

Molecular Properties

Compound NameN,N-dipropyl-4,5,6,7-tetrahydro-2H-isoindol-5-amine
PubChem CID15571647
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC NameN,N-dipropyl-4,5,6,7-tetrahydro-2H-isoindol-5-amine
SMILESCCCN(CCC)C1CCc2c[nH]cc2C1
InChIInChI=1S/C14H24N2/c1-3-7-16(8-4-2)14-6-5-12-10-15-11-13(12)9-14/h10-11,14-15H,3-9H2,1-2H3
InChIKeyWYGARRMLDGJGNL-UHFFFAOYSA-N
XLogP2.99
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N,N-dipropyl-4,5,6,7-tetrahydro-2H-isoindol-5-amine?
The IUPAC name of N,N-dipropyl-4,5,6,7-tetrahydro-2H-isoindol-5-amine (CID 15571647) is N,N-dipropyl-4,5,6,7-tetrahydro-2H-isoindol-5-amine.
What is the SMILES notation for N,N-dipropyl-4,5,6,7-tetrahydro-2H-isoindol-5-amine?
The canonical SMILES for N,N-dipropyl-4,5,6,7-tetrahydro-2H-isoindol-5-amine is CCCN(CCC)C1CCc2c[nH]cc2C1.
What is the InChIKey of N,N-dipropyl-4,5,6,7-tetrahydro-2H-isoindol-5-amine?
The InChIKey is WYGARRMLDGJGNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2/c1-3-7-16(8-4-2)14-6-5-12-10-15-11-13(12)9-14/h10-11,14-15H,3-9H2,1-2H3.
What are the key properties of N,N-dipropyl-4,5,6,7-tetrahydro-2H-isoindol-5-amine?
N,N-dipropyl-4,5,6,7-tetrahydro-2H-isoindol-5-amine has a molecular weight of 220.36 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dipropyl-4,5,6,7-tetrahydro-2H-isoindol-5-amine is sourced from PubChem (CID 15571647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).