8-N-cyclopropyl-8-N-(furan-2-ylmethyl)isoquinoline-5,8-diamine

C17H17N3O — CID 103137838

IUPAC8-N-cyclopropyl-8-N-(furan-2-ylmethyl)isoquinoline-5,8-diamine
SMILESNc1ccc(N(Cc2ccco2)C2CC2)c2cnccc12
InChIInChI=1S/C17H17N3O/c18-16-5-6-17(15-10-19-8-7-14(15)16)20(12-3-4-12)11-13-2-1-9-21-13/h1-2,5-10,12H,3-4,11,18H2
InChIKeyHLNBPFJCMQRJKB-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.58
Rot. Bonds4

About 8-N-cyclopropyl-8-N-(furan-2-ylmethyl)isoquinoline-5,8-diamine

8-N-cyclopropyl-8-N-(furan-2-ylmethyl)isoquinoline-5,8-diamine (PubChem CID 103137838) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 8-N-cyclopropyl-8-N-(furan-2-ylmethyl)isoquinoline-5,8-diamine.

Molecular Properties

Compound Name8-N-cyclopropyl-8-N-(furan-2-ylmethyl)isoquinoline-5,8-diamine
PubChem CID103137838
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name8-N-cyclopropyl-8-N-(furan-2-ylmethyl)isoquinoline-5,8-diamine
SMILESNc1ccc(N(Cc2ccco2)C2CC2)c2cnccc12
InChIInChI=1S/C17H17N3O/c18-16-5-6-17(15-10-19-8-7-14(15)16)20(12-3-4-12)11-13-2-1-9-21-13/h1-2,5-10,12H,3-4,11,18H2
InChIKeyHLNBPFJCMQRJKB-UHFFFAOYSA-N
XLogP3.58
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

8-N-cyclopropyl-8-N-(thiophen-3-ylmethyl)isoquinoline-5,8-diamine
CID 103137550
N-cyclopropyl-N-(furan-2-ylmethyl)-3-[(propan-2-ylamino)methyl]pyridin-4-amine
CID 81253260
6-N-cyclopropyl-6-N-(furan-2-ylmethyl)pyridine-2,3,6-triamine
CID 79827765
4-amino-3-[cyclopropyl(furan-2-ylmethyl)amino]benzenesulfonamide
CID 82900371
1-N-cyclopropyl-2-(difluoromethyl)-1-N-(furan-2-ylmethyl)benzene-1,4-diamine
CID 63734970
8-(furan-2-ylmethylsulfanyl)isoquinolin-5-amine
CID 103140935
8-N-methyl-8-N-(4-methylcyclohexyl)isoquinoline-5,8-diamine
CID 103137554
2-N-cyclopropyl-2-N-(furan-2-ylmethyl)-5-methylpyridine-2,3-diamine
CID 66281069
4-N-cyclopropyl-4-N-(furan-2-ylmethyl)-2-methylbenzene-1,4-diamine
CID 55003816
2-(aminomethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)-4-methylaniline
CID 107926140
2,6-dichloro-1-N-cyclopropyl-1-N-(furan-2-ylmethyl)benzene-1,4-diamine
CID 106890198
3-(chloromethyl)-N-cyclopropyl-N-(furan-2-ylmethyl)pyridin-2-amine
CID 55031150

Frequently Asked Questions

What is the IUPAC name of 8-N-cyclopropyl-8-N-(furan-2-ylmethyl)isoquinoline-5,8-diamine?
The IUPAC name of 8-N-cyclopropyl-8-N-(furan-2-ylmethyl)isoquinoline-5,8-diamine (CID 103137838) is 8-N-cyclopropyl-8-N-(furan-2-ylmethyl)isoquinoline-5,8-diamine.
What is the SMILES notation for 8-N-cyclopropyl-8-N-(furan-2-ylmethyl)isoquinoline-5,8-diamine?
The canonical SMILES for 8-N-cyclopropyl-8-N-(furan-2-ylmethyl)isoquinoline-5,8-diamine is Nc1ccc(N(Cc2ccco2)C2CC2)c2cnccc12.
What is the InChIKey of 8-N-cyclopropyl-8-N-(furan-2-ylmethyl)isoquinoline-5,8-diamine?
The InChIKey is HLNBPFJCMQRJKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c18-16-5-6-17(15-10-19-8-7-14(15)16)20(12-3-4-12)11-13-2-1-9-21-13/h1-2,5-10,12H,3-4,11,18H2.
What are the key properties of 8-N-cyclopropyl-8-N-(furan-2-ylmethyl)isoquinoline-5,8-diamine?
8-N-cyclopropyl-8-N-(furan-2-ylmethyl)isoquinoline-5,8-diamine has a molecular weight of 279.34 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-N-cyclopropyl-8-N-(furan-2-ylmethyl)isoquinoline-5,8-diamine is sourced from PubChem (CID 103137838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).