N-(1-methoxy-3-methylbutan-2-yl)-1-methylazepan-4-amine

C13H28N2O — CID 65075295

IUPACN-(1-methoxy-3-methylbutan-2-yl)-1-methylazepan-4-amine
SMILESCOCC(NC1CCCN(C)CC1)C(C)C
InChIInChI=1S/C13H28N2O/c1-11(2)13(10-16-4)14-12-6-5-8-15(3)9-7-12/h11-14H,5-10H2,1-4H3
InChIKeyGJZZLWQVDQVMRO-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.73
Rot. Bonds5

About N-(1-methoxy-3-methylbutan-2-yl)-1-methylazepan-4-amine

N-(1-methoxy-3-methylbutan-2-yl)-1-methylazepan-4-amine (PubChem CID 65075295) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is N-(1-methoxy-3-methylbutan-2-yl)-1-methylazepan-4-amine.

Molecular Properties

Compound NameN-(1-methoxy-3-methylbutan-2-yl)-1-methylazepan-4-amine
PubChem CID65075295
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC NameN-(1-methoxy-3-methylbutan-2-yl)-1-methylazepan-4-amine
SMILESCOCC(NC1CCCN(C)CC1)C(C)C
InChIInChI=1S/C13H28N2O/c1-11(2)13(10-16-4)14-12-6-5-8-15(3)9-7-12/h11-14H,5-10H2,1-4H3
InChIKeyGJZZLWQVDQVMRO-UHFFFAOYSA-N
XLogP1.73
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-methoxy-3-methylbutan-2-yl)-1-methylpiperidin-4-amine
CID 65047718
(2S)-3-methyl-2-[(1-methylpiperidin-4-yl)amino]butan-1-ol
CID 79253287
1-methyl-N-(3-methylpentan-2-yl)azepan-4-amine
CID 65070746
1-cyclopropyl-N-(1-methoxy-3-methylbutan-2-yl)pyrrolidin-3-amine
CID 65047874
N-(1-ethoxypropan-2-yl)-1-methylazepan-4-amine
CID 65070598
4-ethyl-N-(1-methoxy-3-methylbutan-2-yl)cycloheptan-1-amine
CID 65088356
4-tert-butyl-N-(1-methoxy-3-methylbutan-2-yl)cycloheptan-1-amine
CID 65089987
1-methyl-N-pentan-3-ylazepan-4-amine
CID 65070836
N-(1-methoxy-3-methylbutan-2-yl)-1-pyridin-2-ylpiperidin-4-amine
CID 65047652
N-(2-methoxypropyl)-1-methylazepan-4-amine
CID 102695962
(3S)-N-[(2R)-1-methoxypropan-2-yl]-1-methylpyrrolidin-3-amine
CID 94474733
2-methyl-1-[(1-methylpiperidin-4-yl)amino]propan-1-ol
CID 154950670

Frequently Asked Questions

What is the IUPAC name of N-(1-methoxy-3-methylbutan-2-yl)-1-methylazepan-4-amine?
The IUPAC name of N-(1-methoxy-3-methylbutan-2-yl)-1-methylazepan-4-amine (CID 65075295) is N-(1-methoxy-3-methylbutan-2-yl)-1-methylazepan-4-amine.
What is the SMILES notation for N-(1-methoxy-3-methylbutan-2-yl)-1-methylazepan-4-amine?
The canonical SMILES for N-(1-methoxy-3-methylbutan-2-yl)-1-methylazepan-4-amine is COCC(NC1CCCN(C)CC1)C(C)C.
What is the InChIKey of N-(1-methoxy-3-methylbutan-2-yl)-1-methylazepan-4-amine?
The InChIKey is GJZZLWQVDQVMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-11(2)13(10-16-4)14-12-6-5-8-15(3)9-7-12/h11-14H,5-10H2,1-4H3.
What are the key properties of N-(1-methoxy-3-methylbutan-2-yl)-1-methylazepan-4-amine?
N-(1-methoxy-3-methylbutan-2-yl)-1-methylazepan-4-amine has a molecular weight of 228.38 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methoxy-3-methylbutan-2-yl)-1-methylazepan-4-amine is sourced from PubChem (CID 65075295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).