N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-N-(2-methylpropyl)cyclopropanamine

C16H24N2O — CID 55000974

IUPACN-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-N-(2-methylpropyl)cyclopropanamine
SMILESCC(C)CN(CC1CNc2ccccc2O1)C1CC1
InChIInChI=1S/C16H24N2O/c1-12(2)10-18(13-7-8-13)11-14-9-17-15-5-3-4-6-16(15)19-14/h3-6,12-14,17H,7-11H2,1-2H3
InChIKeyNMRFCMPJGVVKFY-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.98
Rot. Bonds5

About N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-N-(2-methylpropyl)cyclopropanamine

N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-N-(2-methylpropyl)cyclopropanamine (PubChem CID 55000974) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-N-(2-methylpropyl)cyclopropanamine.

Molecular Properties

Compound NameN-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-N-(2-methylpropyl)cyclopropanamine
PubChem CID55000974
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC NameN-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-N-(2-methylpropyl)cyclopropanamine
SMILESCC(C)CN(CC1CNc2ccccc2O1)C1CC1
InChIInChI=1S/C16H24N2O/c1-12(2)10-18(13-7-8-13)11-14-9-17-15-5-3-4-6-16(15)19-14/h3-6,12-14,17H,7-11H2,1-2H3
InChIKeyNMRFCMPJGVVKFY-UHFFFAOYSA-N
XLogP2.98
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-N-(2-methylpropyl)cyclopropanamine?
The IUPAC name of N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-N-(2-methylpropyl)cyclopropanamine (CID 55000974) is N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-N-(2-methylpropyl)cyclopropanamine.
What is the SMILES notation for N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-N-(2-methylpropyl)cyclopropanamine?
The canonical SMILES for N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-N-(2-methylpropyl)cyclopropanamine is CC(C)CN(CC1CNc2ccccc2O1)C1CC1.
What is the InChIKey of N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-N-(2-methylpropyl)cyclopropanamine?
The InChIKey is NMRFCMPJGVVKFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12(2)10-18(13-7-8-13)11-14-9-17-15-5-3-4-6-16(15)19-14/h3-6,12-14,17H,7-11H2,1-2H3.
What are the key properties of N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-N-(2-methylpropyl)cyclopropanamine?
N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-N-(2-methylpropyl)cyclopropanamine has a molecular weight of 260.38 g/mol, XLogP of 2.98, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-2H-1,4-benzoxazin-2-ylmethyl)-N-(2-methylpropyl)cyclopropanamine is sourced from PubChem (CID 55000974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).