N-(2-methoxypropyl)-1-methylazepan-4-amine

C11H24N2O — CID 102695962

IUPACN-(2-methoxypropyl)-1-methylazepan-4-amine
SMILESCOC(C)CNC1CCCN(C)CC1
InChIInChI=1S/C11H24N2O/c1-10(14-3)9-12-11-5-4-7-13(2)8-6-11/h10-12H,4-9H2,1-3H3
InChIKeyBWTWORARYPUJKT-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.10
Rot. Bonds4

About N-(2-methoxypropyl)-1-methylazepan-4-amine

N-(2-methoxypropyl)-1-methylazepan-4-amine (PubChem CID 102695962) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is N-(2-methoxypropyl)-1-methylazepan-4-amine.

Molecular Properties

Compound NameN-(2-methoxypropyl)-1-methylazepan-4-amine
PubChem CID102695962
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC NameN-(2-methoxypropyl)-1-methylazepan-4-amine
SMILESCOC(C)CNC1CCCN(C)CC1
InChIInChI=1S/C11H24N2O/c1-10(14-3)9-12-11-5-4-7-13(2)8-6-11/h10-12H,4-9H2,1-3H3
InChIKeyBWTWORARYPUJKT-UHFFFAOYSA-N
XLogP1.10
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methoxypropyl)-1-propylazepan-4-amine
CID 102696547
N-(cyclobutylmethyl)-1-methylazepan-4-amine
CID 65070057
4,4-dimethyl-1-[(1-methylazepan-4-yl)amino]pentan-2-ol
CID 103859816
N-(2-methoxypropyl)azetidin-3-amine
CID 102695789
1-methyl-N-[(4-methylcyclohexyl)methyl]azepan-4-amine
CID 65075081
1-methyl-N-(3-methylpentan-2-yl)azepan-4-amine
CID 65070746
N-(1-methoxy-3-methylbutan-2-yl)-1-methylazepan-4-amine
CID 65075295
tert-butyl 4-(2-methoxypropylamino)piperidine-1-carboxylate
CID 102696916
1-methyl-N-[2-(4-methylpiperazin-1-yl)ethyl]azepan-4-amine
CID 65070783
N-[2-(4-methylpiperazin-1-yl)propyl]cyclopentanamine
CID 62557293
N,N-dimethyl-N'-(1-methylazepan-4-yl)-1-phenylethane-1,2-diamine
CID 65071440
N-[2-(4-methylpiperazin-1-yl)propyl]cyclohexanamine
CID 62557467

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxypropyl)-1-methylazepan-4-amine?
The IUPAC name of N-(2-methoxypropyl)-1-methylazepan-4-amine (CID 102695962) is N-(2-methoxypropyl)-1-methylazepan-4-amine.
What is the SMILES notation for N-(2-methoxypropyl)-1-methylazepan-4-amine?
The canonical SMILES for N-(2-methoxypropyl)-1-methylazepan-4-amine is COC(C)CNC1CCCN(C)CC1.
What is the InChIKey of N-(2-methoxypropyl)-1-methylazepan-4-amine?
The InChIKey is BWTWORARYPUJKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-10(14-3)9-12-11-5-4-7-13(2)8-6-11/h10-12H,4-9H2,1-3H3.
What are the key properties of N-(2-methoxypropyl)-1-methylazepan-4-amine?
N-(2-methoxypropyl)-1-methylazepan-4-amine has a molecular weight of 200.33 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxypropyl)-1-methylazepan-4-amine is sourced from PubChem (CID 102695962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).