N-[[3-[(2-methyl-1,4-oxazepan-4-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine

C15H28N2O2 — CID 62974429

IUPACN-[[3-[(2-methyl-1,4-oxazepan-4-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine
SMILESCC1CN(CC2(CNC3CC3)CCOC2)CCCO1
InChIInChI=1S/C15H28N2O2/c1-13-9-17(6-2-7-19-13)11-15(5-8-18-12-15)10-16-14-3-4-14/h13-14,16H,2-12H2,1H3
InChIKeyDVYFIKUOEHCDMN-UHFFFAOYSA-N
MW268.40 g/mol
LogP1.26
Rot. Bonds5

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

N-[[3-[(2-methyl-1,4-oxazepan-4-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine (PubChem CID 62974429) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N-[[3-[(2-methyl-1,4-oxazepan-4-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-[(2-methyl-1,4-oxazepan-4-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine
PubChem CID62974429
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC NameN-[[3-[(2-methyl-1,4-oxazepan-4-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine
SMILESCC1CN(CC2(CNC3CC3)CCOC2)CCCO1
InChIInChI=1S/C15H28N2O2/c1-13-9-17(6-2-7-19-13)11-15(5-8-18-12-15)10-16-14-3-4-14/h13-14,16H,2-12H2,1H3
InChIKeyDVYFIKUOEHCDMN-UHFFFAOYSA-N
XLogP1.26
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[(2-methyl-1,4-oxazepan-4-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-[(2-methyl-1,4-oxazepan-4-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine (CID 62974429) is N-[[3-[(2-methyl-1,4-oxazepan-4-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-[(2-methyl-1,4-oxazepan-4-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-[(2-methyl-1,4-oxazepan-4-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine is CC1CN(CC2(CNC3CC3)CCOC2)CCCO1.
What is the InChIKey of N-[[3-[(2-methyl-1,4-oxazepan-4-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine?
The InChIKey is DVYFIKUOEHCDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-13-9-17(6-2-7-19-13)11-15(5-8-18-12-15)10-16-14-3-4-14/h13-14,16H,2-12H2,1H3.
What are the key properties of N-[[3-[(2-methyl-1,4-oxazepan-4-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine?
N-[[3-[(2-methyl-1,4-oxazepan-4-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine has a molecular weight of 268.40 g/mol, XLogP of 1.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[(2-methyl-1,4-oxazepan-4-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 62974429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).