N-(1-cyclopropylpropan-2-yl)isoquinolin-8-amine

C15H18N2 — CID 115929357

IUPACN-(1-cyclopropylpropan-2-yl)isoquinolin-8-amine
SMILESCC(CC1CC1)Nc1cccc2ccncc12
InChIInChI=1S/C15H18N2/c1-11(9-12-5-6-12)17-15-4-2-3-13-7-8-16-10-14(13)15/h2-4,7-8,10-12,17H,5-6,9H2,1H3
InChIKeyWWMNFOAEKXVUKO-UHFFFAOYSA-N
MW226.32 g/mol
LogP3.84
Rot. Bonds4

About N-(1-cyclopropylpropan-2-yl)isoquinolin-8-amine

N-(1-cyclopropylpropan-2-yl)isoquinolin-8-amine (PubChem CID 115929357) has the molecular formula C15H18N2 and a molecular weight of 226.32 g/mol. Its IUPAC name is N-(1-cyclopropylpropan-2-yl)isoquinolin-8-amine.

Molecular Properties

Compound NameN-(1-cyclopropylpropan-2-yl)isoquinolin-8-amine
PubChem CID115929357
Molecular FormulaC15H18N2
Molecular Weight226.32 g/mol
Exact Mass226.15
IUPAC NameN-(1-cyclopropylpropan-2-yl)isoquinolin-8-amine
SMILESCC(CC1CC1)Nc1cccc2ccncc12
InChIInChI=1S/C15H18N2/c1-11(9-12-5-6-12)17-15-4-2-3-13-7-8-16-10-14(13)15/h2-4,7-8,10-12,17H,5-6,9H2,1H3
InChIKeyWWMNFOAEKXVUKO-UHFFFAOYSA-N
XLogP3.84
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(1-cyclobutylpropan-2-yl)naphthalen-1-amine
CID 113489674
N-(1-cyclopropylpropan-2-yl)quinolin-5-amine
CID 115928345
N-[(2R)-butan-2-yl]isoquinolin-5-amine
CID 93261822
N-[1-(1,3-thiazol-5-yl)ethyl]isoquinolin-8-amine
CID 113354954
N-[1-(1-methylpiperidin-3-yl)ethyl]isoquinolin-5-amine
CID 43681268
N-[1-(2-methylpropyl)piperidin-4-yl]isoquinolin-8-amine
CID 103936581
N-(6,6,6-trifluorohexan-2-yl)isoquinolin-5-amine
CID 116534270
N-propylisoquinolin-8-amine
CID 54033424
2-cyclohexyl-N-ethyl-1-isoquinolin-8-ylethanamine
CID 103136574
N-[1-(3-fluorophenyl)propan-2-yl]isoquinolin-5-amine
CID 114828587
N-(2-methylthiolan-3-yl)isoquinolin-8-amine
CID 102672889
2-(1-cyclopropylpropan-2-ylamino)-6-fluorobenzoic acid
CID 79511640

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpropan-2-yl)isoquinolin-8-amine?
The IUPAC name of N-(1-cyclopropylpropan-2-yl)isoquinolin-8-amine (CID 115929357) is N-(1-cyclopropylpropan-2-yl)isoquinolin-8-amine.
What is the SMILES notation for N-(1-cyclopropylpropan-2-yl)isoquinolin-8-amine?
The canonical SMILES for N-(1-cyclopropylpropan-2-yl)isoquinolin-8-amine is CC(CC1CC1)Nc1cccc2ccncc12.
What is the InChIKey of N-(1-cyclopropylpropan-2-yl)isoquinolin-8-amine?
The InChIKey is WWMNFOAEKXVUKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2/c1-11(9-12-5-6-12)17-15-4-2-3-13-7-8-16-10-14(13)15/h2-4,7-8,10-12,17H,5-6,9H2,1H3.
What are the key properties of N-(1-cyclopropylpropan-2-yl)isoquinolin-8-amine?
N-(1-cyclopropylpropan-2-yl)isoquinolin-8-amine has a molecular weight of 226.32 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylpropan-2-yl)isoquinolin-8-amine is sourced from PubChem (CID 115929357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).