3-methyl-N-[1-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)propan-2-yl]butan-1-amine

C17H28N2O — CID 82261596

IUPAC3-methyl-N-[1-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)propan-2-yl]butan-1-amine
SMILESCC(C)CCNC(C)Cc1ccc2c(c1)NCC(C)O2
InChIInChI=1S/C17H28N2O/c1-12(2)7-8-18-13(3)9-15-5-6-17-16(10-15)19-11-14(4)20-17/h5-6,10,12-14,18-19H,7-9,11H2,1-4H3
InChIKeyKFKWXINPKUMYSJ-UHFFFAOYSA-N
MW276.42 g/mol
LogP3.45
Rot. Bonds6

About 3-methyl-N-[1-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)propan-2-yl]butan-1-amine

3-methyl-N-[1-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)propan-2-yl]butan-1-amine (PubChem CID 82261596) has the molecular formula C17H28N2O and a molecular weight of 276.42 g/mol. Its IUPAC name is 3-methyl-N-[1-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)propan-2-yl]butan-1-amine.

Molecular Properties

Compound Name3-methyl-N-[1-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)propan-2-yl]butan-1-amine
PubChem CID82261596
Molecular FormulaC17H28N2O
Molecular Weight276.42 g/mol
Exact Mass276.22
IUPAC Name3-methyl-N-[1-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)propan-2-yl]butan-1-amine
SMILESCC(C)CCNC(C)Cc1ccc2c(c1)NCC(C)O2
InChIInChI=1S/C17H28N2O/c1-12(2)7-8-18-13(3)9-15-5-6-17-16(10-15)19-11-14(4)20-17/h5-6,10,12-14,18-19H,7-9,11H2,1-4H3
InChIKeyKFKWXINPKUMYSJ-UHFFFAOYSA-N
XLogP3.45
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[1-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)propan-2-yl]butan-1-amine?
The IUPAC name of 3-methyl-N-[1-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)propan-2-yl]butan-1-amine (CID 82261596) is 3-methyl-N-[1-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)propan-2-yl]butan-1-amine.
What is the SMILES notation for 3-methyl-N-[1-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)propan-2-yl]butan-1-amine?
The canonical SMILES for 3-methyl-N-[1-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)propan-2-yl]butan-1-amine is CC(C)CCNC(C)Cc1ccc2c(c1)NCC(C)O2.
What is the InChIKey of 3-methyl-N-[1-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)propan-2-yl]butan-1-amine?
The InChIKey is KFKWXINPKUMYSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2O/c1-12(2)7-8-18-13(3)9-15-5-6-17-16(10-15)19-11-14(4)20-17/h5-6,10,12-14,18-19H,7-9,11H2,1-4H3.
What are the key properties of 3-methyl-N-[1-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)propan-2-yl]butan-1-amine?
3-methyl-N-[1-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)propan-2-yl]butan-1-amine has a molecular weight of 276.42 g/mol, XLogP of 3.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[1-(2-methyl-3,4-dihydro-2H-1,4-benzoxazin-6-yl)propan-2-yl]butan-1-amine is sourced from PubChem (CID 82261596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).