N-[4-(aminomethyl)oxan-4-yl]isoquinolin-1-amine

C15H19N3O — CID 106298365

IUPACN-[4-(aminomethyl)oxan-4-yl]isoquinolin-1-amine
SMILESNCC1(Nc2nccc3ccccc23)CCOCC1
InChIInChI=1S/C15H19N3O/c16-11-15(6-9-19-10-7-15)18-14-13-4-2-1-3-12(13)5-8-17-14/h1-5,8H,6-7,9-11,16H2,(H,17,18)
InChIKeyVXNRICNBZPTLMG-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.15
Rot. Bonds3

About N-[4-(aminomethyl)oxan-4-yl]isoquinolin-1-amine

N-[4-(aminomethyl)oxan-4-yl]isoquinolin-1-amine (PubChem CID 106298365) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-[4-(aminomethyl)oxan-4-yl]isoquinolin-1-amine.

Molecular Properties

Compound NameN-[4-(aminomethyl)oxan-4-yl]isoquinolin-1-amine
PubChem CID106298365
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-[4-(aminomethyl)oxan-4-yl]isoquinolin-1-amine
SMILESNCC1(Nc2nccc3ccccc23)CCOCC1
InChIInChI=1S/C15H19N3O/c16-11-15(6-9-19-10-7-15)18-14-13-4-2-1-3-12(13)5-8-17-14/h1-5,8H,6-7,9-11,16H2,(H,17,18)
InChIKeyVXNRICNBZPTLMG-UHFFFAOYSA-N
XLogP2.15
TPSA60.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(aminomethyl)oxan-4-yl]-3-methylpyridin-2-amine
CID 106298028
N-[4-(aminomethyl)oxan-4-yl]-4-methylphthalazin-1-amine
CID 106298338
N-[1-(aminomethyl)cyclopropyl]-2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-amine
CID 106543585
N-[1-(aminomethyl)cyclobutyl]-2,3-dihydro-[1,4]dioxino[2,3-g]isoquinolin-6-amine
CID 106543598
N-[4-(aminomethyl)oxan-4-yl]quinoxalin-2-amine
CID 106298032
N-[1-(aminomethyl)cyclobutyl]-5-bromoisoquinolin-1-amine
CID 106543596
N-[1-(aminomethyl)cyclopentyl]furo[3,2-c]pyridin-4-amine
CID 106535301
N-[4-(aminomethyl)oxan-4-yl]pyrido[2,3-b]pyrazin-6-amine
CID 106298394
N-[4-(aminomethyl)oxan-4-yl]-1,2,4-thiadiazol-5-amine
CID 106298397
N-[4-(aminomethyl)oxan-4-yl]-5-iodopyrimidin-4-amine
CID 106298229
ethane;isoquinolin-1-ylhydrazine
CID 142316933
N-[1-(aminomethyl)-4-methylcyclohexyl]furo[3,2-c]pyridin-4-amine
CID 106535777

Frequently Asked Questions

What is the IUPAC name of N-[4-(aminomethyl)oxan-4-yl]isoquinolin-1-amine?
The IUPAC name of N-[4-(aminomethyl)oxan-4-yl]isoquinolin-1-amine (CID 106298365) is N-[4-(aminomethyl)oxan-4-yl]isoquinolin-1-amine.
What is the SMILES notation for N-[4-(aminomethyl)oxan-4-yl]isoquinolin-1-amine?
The canonical SMILES for N-[4-(aminomethyl)oxan-4-yl]isoquinolin-1-amine is NCC1(Nc2nccc3ccccc23)CCOCC1.
What is the InChIKey of N-[4-(aminomethyl)oxan-4-yl]isoquinolin-1-amine?
The InChIKey is VXNRICNBZPTLMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c16-11-15(6-9-19-10-7-15)18-14-13-4-2-1-3-12(13)5-8-17-14/h1-5,8H,6-7,9-11,16H2,(H,17,18).
What are the key properties of N-[4-(aminomethyl)oxan-4-yl]isoquinolin-1-amine?
N-[4-(aminomethyl)oxan-4-yl]isoquinolin-1-amine has a molecular weight of 257.34 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(aminomethyl)oxan-4-yl]isoquinolin-1-amine is sourced from PubChem (CID 106298365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).