5-N-propan-2-yl-5-N-propylisoquinoline-5,8-diamine

C15H21N3 — CID 43382753

IUPAC5-N-propan-2-yl-5-N-propylisoquinoline-5,8-diamine
SMILESCCCN(c1ccc(N)c2cnccc12)C(C)C
InChIInChI=1S/C15H21N3/c1-4-9-18(11(2)3)15-6-5-14(16)13-10-17-8-7-12(13)15/h5-8,10-11H,4,9,16H2,1-3H3
InChIKeyCHUFDGPEHVHRFR-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.44
Rot. Bonds4

About 5-N-propan-2-yl-5-N-propylisoquinoline-5,8-diamine

5-N-propan-2-yl-5-N-propylisoquinoline-5,8-diamine (PubChem CID 43382753) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 5-N-propan-2-yl-5-N-propylisoquinoline-5,8-diamine.

Molecular Properties

Compound Name5-N-propan-2-yl-5-N-propylisoquinoline-5,8-diamine
PubChem CID43382753
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name5-N-propan-2-yl-5-N-propylisoquinoline-5,8-diamine
SMILESCCCN(c1ccc(N)c2cnccc12)C(C)C
InChIInChI=1S/C15H21N3/c1-4-9-18(11(2)3)15-6-5-14(16)13-10-17-8-7-12(13)15/h5-8,10-11H,4,9,16H2,1-3H3
InChIKeyCHUFDGPEHVHRFR-UHFFFAOYSA-N
XLogP3.44
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-N-(cyclopropylmethyl)-5-N-propan-2-ylisoquinoline-5,8-diamine
CID 55001589
5-N-propan-2-yl-5-N-propylquinoline-5,8-diamine
CID 43382839
3-(aminomethyl)-N-propan-2-yl-N-propylpyridin-4-amine
CID 81248637
3-[(8-aminoisoquinolin-5-yl)-ethylamino]propanenitrile
CID 54988845
5-N-(4-ethylcyclohexyl)-5-N-methylisoquinoline-5,8-diamine
CID 61451033
4-N-propan-2-yl-4-N-propyl-1H-pyrazole-4,5-diamine
CID 82238136
5-N-ethyl-5-N-(2-methylphenyl)isoquinoline-5,8-diamine
CID 43448667
isoquinoline-5,8-diamine;hydrochloride
CID 75525603
5-N-pentyl-5-N-propan-2-ylquinoline-5,8-diamine
CID 63402856
2-[(8-aminoisoquinolin-5-yl)-methylamino]-N,N-dimethylacetamide
CID 43448835
5-N-(cyclopentylmethyl)-5-N-methylisoquinoline-5,8-diamine
CID 63631040
8-propoxyisoquinolin-5-amine
CID 103139869

Frequently Asked Questions

What is the IUPAC name of 5-N-propan-2-yl-5-N-propylisoquinoline-5,8-diamine?
The IUPAC name of 5-N-propan-2-yl-5-N-propylisoquinoline-5,8-diamine (CID 43382753) is 5-N-propan-2-yl-5-N-propylisoquinoline-5,8-diamine.
What is the SMILES notation for 5-N-propan-2-yl-5-N-propylisoquinoline-5,8-diamine?
The canonical SMILES for 5-N-propan-2-yl-5-N-propylisoquinoline-5,8-diamine is CCCN(c1ccc(N)c2cnccc12)C(C)C.
What is the InChIKey of 5-N-propan-2-yl-5-N-propylisoquinoline-5,8-diamine?
The InChIKey is CHUFDGPEHVHRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-4-9-18(11(2)3)15-6-5-14(16)13-10-17-8-7-12(13)15/h5-8,10-11H,4,9,16H2,1-3H3.
What are the key properties of 5-N-propan-2-yl-5-N-propylisoquinoline-5,8-diamine?
5-N-propan-2-yl-5-N-propylisoquinoline-5,8-diamine has a molecular weight of 243.35 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-propan-2-yl-5-N-propylisoquinoline-5,8-diamine is sourced from PubChem (CID 43382753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).