N-[[4,6-dimethyl-2-(1,4-oxazepan-4-yl)-3-pyridinyl]methyl]cyclopropanamine

C16H25N3O — CID 62973725

IUPACN-[[4,6-dimethyl-2-(1,4-oxazepan-4-yl)-3-pyridinyl]methyl]cyclopropanamine
SMILESCc1cc(C)c(CNC2CC2)c(N2CCCOCC2)n1
InChIInChI=1S/C16H25N3O/c1-12-10-13(2)18-16(15(12)11-17-14-4-5-14)19-6-3-8-20-9-7-19/h10,14,17H,3-9,11H2,1-2H3
InChIKeyOHRQQZBVFXMBFC-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.18
Rot. Bonds4

About N-[[4,6-dimethyl-2-(1,4-oxazepan-4-yl)-3-pyridinyl]methyl]cyclopropanamine

N-[[4,6-dimethyl-2-(1,4-oxazepan-4-yl)-3-pyridinyl]methyl]cyclopropanamine (PubChem CID 62973725) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-[[4,6-dimethyl-2-(1,4-oxazepan-4-yl)-3-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4,6-dimethyl-2-(1,4-oxazepan-4-yl)-3-pyridinyl]methyl]cyclopropanamine
PubChem CID62973725
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-[[4,6-dimethyl-2-(1,4-oxazepan-4-yl)-3-pyridinyl]methyl]cyclopropanamine
SMILESCc1cc(C)c(CNC2CC2)c(N2CCCOCC2)n1
InChIInChI=1S/C16H25N3O/c1-12-10-13(2)18-16(15(12)11-17-14-4-5-14)19-6-3-8-20-9-7-19/h10,14,17H,3-9,11H2,1-2H3
InChIKeyOHRQQZBVFXMBFC-UHFFFAOYSA-N
XLogP2.18
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[4,6-dimethyl-2-(1,4-oxazepan-4-yl)-3-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4,6-dimethyl-2-(1,4-oxazepan-4-yl)-3-pyridinyl]methyl]cyclopropanamine (CID 62973725) is N-[[4,6-dimethyl-2-(1,4-oxazepan-4-yl)-3-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4,6-dimethyl-2-(1,4-oxazepan-4-yl)-3-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4,6-dimethyl-2-(1,4-oxazepan-4-yl)-3-pyridinyl]methyl]cyclopropanamine is Cc1cc(C)c(CNC2CC2)c(N2CCCOCC2)n1.
What is the InChIKey of N-[[4,6-dimethyl-2-(1,4-oxazepan-4-yl)-3-pyridinyl]methyl]cyclopropanamine?
The InChIKey is OHRQQZBVFXMBFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-12-10-13(2)18-16(15(12)11-17-14-4-5-14)19-6-3-8-20-9-7-19/h10,14,17H,3-9,11H2,1-2H3.
What are the key properties of N-[[4,6-dimethyl-2-(1,4-oxazepan-4-yl)-3-pyridinyl]methyl]cyclopropanamine?
N-[[4,6-dimethyl-2-(1,4-oxazepan-4-yl)-3-pyridinyl]methyl]cyclopropanamine has a molecular weight of 275.40 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4,6-dimethyl-2-(1,4-oxazepan-4-yl)-3-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 62973725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).