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

C16H25N3O — CID 106906469

IUPACN-[[6-[(2-methyl-1,4-oxazepan-4-yl)methyl]-2-pyridinyl]methyl]cyclopropanamine
SMILESCC1CN(Cc2cccc(CNC3CC3)n2)CCCO1
InChIInChI=1S/C16H25N3O/c1-13-11-19(8-3-9-20-13)12-16-5-2-4-15(18-16)10-17-14-6-7-14/h2,4-5,13-14,17H,3,6-12H2,1H3
InChIKeyWSBJAANCOIBPIR-UHFFFAOYSA-N
MW275.40 g/mol
LogP1.94
Rot. Bonds5

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

N-[[6-[(2-methyl-1,4-oxazepan-4-yl)methyl]-2-pyridinyl]methyl]cyclopropanamine (PubChem CID 106906469) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is N-[[6-[(2-methyl-1,4-oxazepan-4-yl)methyl]-2-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[6-[(2-methyl-1,4-oxazepan-4-yl)methyl]-2-pyridinyl]methyl]cyclopropanamine
PubChem CID106906469
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC NameN-[[6-[(2-methyl-1,4-oxazepan-4-yl)methyl]-2-pyridinyl]methyl]cyclopropanamine
SMILESCC1CN(Cc2cccc(CNC3CC3)n2)CCCO1
InChIInChI=1S/C16H25N3O/c1-13-11-19(8-3-9-20-13)12-16-5-2-4-15(18-16)10-17-14-6-7-14/h2,4-5,13-14,17H,3,6-12H2,1H3
InChIKeyWSBJAANCOIBPIR-UHFFFAOYSA-N
XLogP1.94
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[6-[(2-methyl-1,4-oxazepan-4-yl)methyl]-2-pyridinyl]methyl]cyclopropanamine with MolForge

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Related Compounds

2-methyl-N-[[6-[(2-methyl-1,4-oxazepan-4-yl)methyl]-2-pyridinyl]methyl]propan-2-amine
CID 106906466
N-[[4-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenyl]methyl]cyclopropanamine
CID 62974101
N-[[6-[(3-ethyl-4-methylpiperazin-1-yl)methyl]-2-pyridinyl]methyl]cyclopropanamine
CID 106906584
N-[[2-[(2-methyl-1,4-oxazepan-4-yl)methyl]furan-3-yl]methyl]cyclopropanamine
CID 62973751
N-[[6-[(4-propylpiperazin-1-yl)methyl]-2-pyridinyl]methyl]cyclopropanamine
CID 106905627
N-[[6-[(3-methoxy-3-methylpiperidin-1-yl)methyl]-2-pyridinyl]methyl]cyclopropanamine
CID 107395527
N-[[5-[(2-methyl-1,4-oxazepan-4-yl)methyl]furan-3-yl]methyl]cyclopropanamine
CID 62974113
N-[[6-[(2-methylazepan-1-yl)methyl]-2-pyridinyl]methyl]cyclopropanamine
CID 106906708
N-ethyl-6-[(2-methylmorpholin-4-yl)methyl]pyridin-2-amine
CID 79242891
1-[6-(azocan-1-ylmethyl)-2-pyridinyl]-N-methylmethanamine
CID 106905663
2-[(2-methyl-1,4-oxazepan-4-yl)methyl]pyridin-4-amine
CID 79251771
1-[6-[(3-tert-butylpyrrolidin-1-yl)methyl]-2-pyridinyl]-N-methylmethanamine
CID 106907083

Frequently Asked Questions

What is the IUPAC name of N-[[6-[(2-methyl-1,4-oxazepan-4-yl)methyl]-2-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[6-[(2-methyl-1,4-oxazepan-4-yl)methyl]-2-pyridinyl]methyl]cyclopropanamine (CID 106906469) is N-[[6-[(2-methyl-1,4-oxazepan-4-yl)methyl]-2-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[6-[(2-methyl-1,4-oxazepan-4-yl)methyl]-2-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[6-[(2-methyl-1,4-oxazepan-4-yl)methyl]-2-pyridinyl]methyl]cyclopropanamine is CC1CN(Cc2cccc(CNC3CC3)n2)CCCO1.
What is the InChIKey of N-[[6-[(2-methyl-1,4-oxazepan-4-yl)methyl]-2-pyridinyl]methyl]cyclopropanamine?
The InChIKey is WSBJAANCOIBPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-13-11-19(8-3-9-20-13)12-16-5-2-4-15(18-16)10-17-14-6-7-14/h2,4-5,13-14,17H,3,6-12H2,1H3.
What are the key properties of N-[[6-[(2-methyl-1,4-oxazepan-4-yl)methyl]-2-pyridinyl]methyl]cyclopropanamine?
N-[[6-[(2-methyl-1,4-oxazepan-4-yl)methyl]-2-pyridinyl]methyl]cyclopropanamine has a molecular weight of 275.40 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-[(2-methyl-1,4-oxazepan-4-yl)methyl]-2-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 106906469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).