N-[1-[5-(2-methyl-1,4-oxazepan-4-yl)-2-pyridinyl]ethyl]propan-1-amine

C16H27N3O — CID 83123117

IUPACN-[1-[5-(2-methyl-1,4-oxazepan-4-yl)-2-pyridinyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(N2CCCOC(C)C2)cn1
InChIInChI=1S/C16H27N3O/c1-4-8-17-14(3)16-7-6-15(11-18-16)19-9-5-10-20-13(2)12-19/h6-7,11,13-14,17H,4-5,8-10,12H2,1-3H3
InChIKeyUFVPNRVYFGYQDS-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.76
Rot. Bonds5

About N-[1-[5-(2-methyl-1,4-oxazepan-4-yl)-2-pyridinyl]ethyl]propan-1-amine

N-[1-[5-(2-methyl-1,4-oxazepan-4-yl)-2-pyridinyl]ethyl]propan-1-amine (PubChem CID 83123117) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is N-[1-[5-(2-methyl-1,4-oxazepan-4-yl)-2-pyridinyl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[1-[5-(2-methyl-1,4-oxazepan-4-yl)-2-pyridinyl]ethyl]propan-1-amine
PubChem CID83123117
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC NameN-[1-[5-(2-methyl-1,4-oxazepan-4-yl)-2-pyridinyl]ethyl]propan-1-amine
SMILESCCCNC(C)c1ccc(N2CCCOC(C)C2)cn1
InChIInChI=1S/C16H27N3O/c1-4-8-17-14(3)16-7-6-15(11-18-16)19-9-5-10-20-13(2)12-19/h6-7,11,13-14,17H,4-5,8-10,12H2,1-3H3
InChIKeyUFVPNRVYFGYQDS-UHFFFAOYSA-N
XLogP2.76
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(2-methyl-1,4-oxazepan-4-yl)-2-pyridinyl]ethyl]propan-1-amine?
The IUPAC name of N-[1-[5-(2-methyl-1,4-oxazepan-4-yl)-2-pyridinyl]ethyl]propan-1-amine (CID 83123117) is N-[1-[5-(2-methyl-1,4-oxazepan-4-yl)-2-pyridinyl]ethyl]propan-1-amine.
What is the SMILES notation for N-[1-[5-(2-methyl-1,4-oxazepan-4-yl)-2-pyridinyl]ethyl]propan-1-amine?
The canonical SMILES for N-[1-[5-(2-methyl-1,4-oxazepan-4-yl)-2-pyridinyl]ethyl]propan-1-amine is CCCNC(C)c1ccc(N2CCCOC(C)C2)cn1.
What is the InChIKey of N-[1-[5-(2-methyl-1,4-oxazepan-4-yl)-2-pyridinyl]ethyl]propan-1-amine?
The InChIKey is UFVPNRVYFGYQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-4-8-17-14(3)16-7-6-15(11-18-16)19-9-5-10-20-13(2)12-19/h6-7,11,13-14,17H,4-5,8-10,12H2,1-3H3.
What are the key properties of N-[1-[5-(2-methyl-1,4-oxazepan-4-yl)-2-pyridinyl]ethyl]propan-1-amine?
N-[1-[5-(2-methyl-1,4-oxazepan-4-yl)-2-pyridinyl]ethyl]propan-1-amine has a molecular weight of 277.41 g/mol, XLogP of 2.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(2-methyl-1,4-oxazepan-4-yl)-2-pyridinyl]ethyl]propan-1-amine is sourced from PubChem (CID 83123117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).