8-N-(dicyclopropylmethyl)isoquinoline-5,8-diamine

C16H19N3 — CID 103137655

IUPAC8-N-(dicyclopropylmethyl)isoquinoline-5,8-diamine
SMILESNc1ccc(NC(C2CC2)C2CC2)c2cnccc12
InChIInChI=1S/C16H19N3/c17-14-5-6-15(13-9-18-8-7-12(13)14)19-16(10-1-2-10)11-3-4-11/h5-11,16,19H,1-4,17H2
InChIKeyHUJTXDYYEHCQPL-UHFFFAOYSA-N
MW253.35 g/mol
LogP3.42
Rot. Bonds4

About 8-N-(dicyclopropylmethyl)isoquinoline-5,8-diamine

8-N-(dicyclopropylmethyl)isoquinoline-5,8-diamine (PubChem CID 103137655) has the molecular formula C16H19N3 and a molecular weight of 253.35 g/mol. Its IUPAC name is 8-N-(dicyclopropylmethyl)isoquinoline-5,8-diamine.

Molecular Properties

Compound Name8-N-(dicyclopropylmethyl)isoquinoline-5,8-diamine
PubChem CID103137655
Molecular FormulaC16H19N3
Molecular Weight253.35 g/mol
Exact Mass253.16
IUPAC Name8-N-(dicyclopropylmethyl)isoquinoline-5,8-diamine
SMILESNc1ccc(NC(C2CC2)C2CC2)c2cnccc12
InChIInChI=1S/C16H19N3/c17-14-5-6-15(13-9-18-8-7-12(13)14)19-16(10-1-2-10)11-3-4-11/h5-11,16,19H,1-4,17H2
InChIKeyHUJTXDYYEHCQPL-UHFFFAOYSA-N
XLogP3.42
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-N-(dicyclopropylmethyl)isoquinoline-5,8-diamine?
The IUPAC name of 8-N-(dicyclopropylmethyl)isoquinoline-5,8-diamine (CID 103137655) is 8-N-(dicyclopropylmethyl)isoquinoline-5,8-diamine.
What is the SMILES notation for 8-N-(dicyclopropylmethyl)isoquinoline-5,8-diamine?
The canonical SMILES for 8-N-(dicyclopropylmethyl)isoquinoline-5,8-diamine is Nc1ccc(NC(C2CC2)C2CC2)c2cnccc12.
What is the InChIKey of 8-N-(dicyclopropylmethyl)isoquinoline-5,8-diamine?
The InChIKey is HUJTXDYYEHCQPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3/c17-14-5-6-15(13-9-18-8-7-12(13)14)19-16(10-1-2-10)11-3-4-11/h5-11,16,19H,1-4,17H2.
What are the key properties of 8-N-(dicyclopropylmethyl)isoquinoline-5,8-diamine?
8-N-(dicyclopropylmethyl)isoquinoline-5,8-diamine has a molecular weight of 253.35 g/mol, XLogP of 3.42, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-(dicyclopropylmethyl)isoquinoline-5,8-diamine is sourced from PubChem (CID 103137655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).