N-butan-2-yl-N-methyl-3-[(propan-2-ylamino)methyl]isoquinolin-1-amine

C18H27N3 — CID 62279501

IUPACN-butan-2-yl-N-methyl-3-[(propan-2-ylamino)methyl]isoquinolin-1-amine
SMILESCCC(C)N(C)c1nc(CNC(C)C)cc2ccccc12
InChIInChI=1S/C18H27N3/c1-6-14(4)21(5)18-17-10-8-7-9-15(17)11-16(20-18)12-19-13(2)3/h7-11,13-14,19H,6,12H2,1-5H3
InChIKeyHXOPIDJRPQZKGE-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.97
Rot. Bonds6

About N-butan-2-yl-N-methyl-3-[(propan-2-ylamino)methyl]isoquinolin-1-amine

N-butan-2-yl-N-methyl-3-[(propan-2-ylamino)methyl]isoquinolin-1-amine (PubChem CID 62279501) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is N-butan-2-yl-N-methyl-3-[(propan-2-ylamino)methyl]isoquinolin-1-amine.

Molecular Properties

Compound NameN-butan-2-yl-N-methyl-3-[(propan-2-ylamino)methyl]isoquinolin-1-amine
PubChem CID62279501
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC NameN-butan-2-yl-N-methyl-3-[(propan-2-ylamino)methyl]isoquinolin-1-amine
SMILESCCC(C)N(C)c1nc(CNC(C)C)cc2ccccc12
InChIInChI=1S/C18H27N3/c1-6-14(4)21(5)18-17-10-8-7-9-15(17)11-16(20-18)12-19-13(2)3/h7-11,13-14,19H,6,12H2,1-5H3
InChIKeyHXOPIDJRPQZKGE-UHFFFAOYSA-N
XLogP3.97
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-3-(methylaminomethyl)-N-(1-methylsulfanylpropan-2-yl)isoquinolin-1-amine
CID 115987716
2-[[3-(hydroxymethyl)isoquinolin-1-yl]-methylamino]propan-1-ol
CID 104553842
N-(1-cyclopropylethyl)-3-(ethylaminomethyl)-N-methylisoquinolin-1-amine
CID 62283095
N-butan-2-yl-N-methyl-6-[(propan-2-ylamino)methyl]pyridin-2-amine
CID 62280724
3-(aminomethyl)-N-methyl-N-propan-2-ylisoquinolin-1-amine
CID 62299999
N,N-dimethyl-3-[(2-methylpropylamino)methyl]isoquinolin-1-amine
CID 62279284
N-[[1-(oxetan-3-yloxy)isoquinolin-3-yl]methyl]propan-2-amine
CID 102608007
N-butan-2-yl-2-hydrazinyl-N-methylquinazolin-4-amine
CID 80894230
3-(methylaminomethyl)-N,N-dipropylisoquinolin-1-amine
CID 62284936
3-(chloromethyl)-N-methyl-N-(3-methylbutan-2-yl)isoquinolin-1-amine
CID 61255781
N-methyl-2-[(propan-2-ylamino)methyl]-N-propylquinolin-4-amine
CID 63374302
N-methyl-3-(methylaminomethyl)-N-propylisoquinolin-1-amine
CID 55054429

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-N-methyl-3-[(propan-2-ylamino)methyl]isoquinolin-1-amine?
The IUPAC name of N-butan-2-yl-N-methyl-3-[(propan-2-ylamino)methyl]isoquinolin-1-amine (CID 62279501) is N-butan-2-yl-N-methyl-3-[(propan-2-ylamino)methyl]isoquinolin-1-amine.
What is the SMILES notation for N-butan-2-yl-N-methyl-3-[(propan-2-ylamino)methyl]isoquinolin-1-amine?
The canonical SMILES for N-butan-2-yl-N-methyl-3-[(propan-2-ylamino)methyl]isoquinolin-1-amine is CCC(C)N(C)c1nc(CNC(C)C)cc2ccccc12.
What is the InChIKey of N-butan-2-yl-N-methyl-3-[(propan-2-ylamino)methyl]isoquinolin-1-amine?
The InChIKey is HXOPIDJRPQZKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-6-14(4)21(5)18-17-10-8-7-9-15(17)11-16(20-18)12-19-13(2)3/h7-11,13-14,19H,6,12H2,1-5H3.
What are the key properties of N-butan-2-yl-N-methyl-3-[(propan-2-ylamino)methyl]isoquinolin-1-amine?
N-butan-2-yl-N-methyl-3-[(propan-2-ylamino)methyl]isoquinolin-1-amine has a molecular weight of 285.44 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-N-methyl-3-[(propan-2-ylamino)methyl]isoquinolin-1-amine is sourced from PubChem (CID 62279501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).