1,1-dicyclopropyl-N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)methanamine

C16H22N2O — CID 61480688

IUPAC1,1-dicyclopropyl-N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)methanamine
SMILESc1ccc2c(c1)NCC(CNC(C1CC1)C1CC1)O2
InChIInChI=1S/C16H22N2O/c1-2-4-15-14(3-1)17-9-13(19-15)10-18-16(11-5-6-11)12-7-8-12/h1-4,11-13,16-18H,5-10H2
InChIKeyLQVDMOORKKGMBX-UHFFFAOYSA-N
MW258.36 g/mol
LogP2.64
Rot. Bonds5

About 1,1-dicyclopropyl-N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)methanamine

1,1-dicyclopropyl-N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)methanamine (PubChem CID 61480688) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 1,1-dicyclopropyl-N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1,1-dicyclopropyl-N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)methanamine
PubChem CID61480688
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name1,1-dicyclopropyl-N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)methanamine
SMILESc1ccc2c(c1)NCC(CNC(C1CC1)C1CC1)O2
InChIInChI=1S/C16H22N2O/c1-2-4-15-14(3-1)17-9-13(19-15)10-18-16(11-5-6-11)12-7-8-12/h1-4,11-13,16-18H,5-10H2
InChIKeyLQVDMOORKKGMBX-UHFFFAOYSA-N
XLogP2.64
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1-dicyclopropyl-N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)methanamine?
The IUPAC name of 1,1-dicyclopropyl-N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)methanamine (CID 61480688) is 1,1-dicyclopropyl-N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)methanamine.
What is the SMILES notation for 1,1-dicyclopropyl-N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)methanamine?
The canonical SMILES for 1,1-dicyclopropyl-N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)methanamine is c1ccc2c(c1)NCC(CNC(C1CC1)C1CC1)O2.
What is the InChIKey of 1,1-dicyclopropyl-N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)methanamine?
The InChIKey is LQVDMOORKKGMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-2-4-15-14(3-1)17-9-13(19-15)10-18-16(11-5-6-11)12-7-8-12/h1-4,11-13,16-18H,5-10H2.
What are the key properties of 1,1-dicyclopropyl-N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)methanamine?
1,1-dicyclopropyl-N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)methanamine has a molecular weight of 258.36 g/mol, XLogP of 2.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-dicyclopropyl-N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)methanamine is sourced from PubChem (CID 61480688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).