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

C14H28N2O — CID 79409708

IUPACN-[2-methyl-3-(2-methyl-1,4-oxazepan-4-yl)butyl]cyclopropanamine
SMILESCC1CN(C(C)C(C)CNC2CC2)CCCO1
InChIInChI=1S/C14H28N2O/c1-11(9-15-14-5-6-14)13(3)16-7-4-8-17-12(2)10-16/h11-15H,4-10H2,1-3H3
InChIKeyGMKUCSKEYOOUAD-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.87
Rot. Bonds5

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

N-[2-methyl-3-(2-methyl-1,4-oxazepan-4-yl)butyl]cyclopropanamine (PubChem CID 79409708) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N-[2-methyl-3-(2-methyl-1,4-oxazepan-4-yl)butyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-methyl-3-(2-methyl-1,4-oxazepan-4-yl)butyl]cyclopropanamine
PubChem CID79409708
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN-[2-methyl-3-(2-methyl-1,4-oxazepan-4-yl)butyl]cyclopropanamine
SMILESCC1CN(C(C)C(C)CNC2CC2)CCCO1
InChIInChI=1S/C14H28N2O/c1-11(9-15-14-5-6-14)13(3)16-7-4-8-17-12(2)10-16/h11-15H,4-10H2,1-3H3
InChIKeyGMKUCSKEYOOUAD-UHFFFAOYSA-N
XLogP1.87
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2-methyl-3-(2-methyl-1,4-oxazepan-4-yl)butan-1-amine
CID 81019358
N-[3-(4,4-dimethylazepan-1-yl)-2-methylbutyl]cyclopropanamine
CID 79408659
N-[3-(3-ethoxypiperidin-1-yl)-2-methylbutyl]cyclopropanamine
CID 79414132
N-[2-methyl-3-(4-propan-2-ylazepan-1-yl)butyl]cyclopropanamine
CID 79409298
2-cyclopentyl-2-(2-methyl-1,4-oxazepan-4-yl)ethanamine
CID 62988805
N-[3-(2-methylmorpholin-4-yl)butyl]cyclopropanamine
CID 62439473
3-(2-methyl-1,4-oxazepan-4-yl)-N-propan-2-ylbutan-1-amine
CID 62974621
N-methyl-4-(2-methyl-1,4-oxazepan-4-yl)pentan-2-amine
CID 64708050
N-[2-methyl-3-(4-methylsulfanylpiperidin-1-yl)butyl]cyclopropanamine
CID 114238281
3-(2-methyl-1,4-oxazepan-4-yl)butanenitrile
CID 62988698
methyl 2-(2-methyl-1,4-oxazepan-4-yl)propanoate
CID 62972695
1-(cyclopropylamino)-3-(2-methylmorpholin-4-yl)propan-2-ol
CID 43165752

Frequently Asked Questions

What is the IUPAC name of N-[2-methyl-3-(2-methyl-1,4-oxazepan-4-yl)butyl]cyclopropanamine?
The IUPAC name of N-[2-methyl-3-(2-methyl-1,4-oxazepan-4-yl)butyl]cyclopropanamine (CID 79409708) is N-[2-methyl-3-(2-methyl-1,4-oxazepan-4-yl)butyl]cyclopropanamine.
What is the SMILES notation for N-[2-methyl-3-(2-methyl-1,4-oxazepan-4-yl)butyl]cyclopropanamine?
The canonical SMILES for N-[2-methyl-3-(2-methyl-1,4-oxazepan-4-yl)butyl]cyclopropanamine is CC1CN(C(C)C(C)CNC2CC2)CCCO1.
What is the InChIKey of N-[2-methyl-3-(2-methyl-1,4-oxazepan-4-yl)butyl]cyclopropanamine?
The InChIKey is GMKUCSKEYOOUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-11(9-15-14-5-6-14)13(3)16-7-4-8-17-12(2)10-16/h11-15H,4-10H2,1-3H3.
What are the key properties of N-[2-methyl-3-(2-methyl-1,4-oxazepan-4-yl)butyl]cyclopropanamine?
N-[2-methyl-3-(2-methyl-1,4-oxazepan-4-yl)butyl]cyclopropanamine has a molecular weight of 240.39 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-3-(2-methyl-1,4-oxazepan-4-yl)butyl]cyclopropanamine is sourced from PubChem (CID 79409708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).