1-[3-(2-methoxyethyl)azepan-1-yl]-2-methylpropan-2-amine;hydrochloride

C13H29ClN2O — CID 120856496

IUPAC1-[3-(2-methoxyethyl)azepan-1-yl]-2-methylpropan-2-amine;hydrochloride
SMILESCOCCC1CCCCN(CC(C)(C)N)C1.Cl
InChIInChI=1S/C13H28N2O.ClH/c1-13(2,14)11-15-8-5-4-6-12(10-15)7-9-16-3;/h12H,4-11,14H2,1-3H3;1H
InChIKeyJWGNSUSEKJTCQO-UHFFFAOYSA-N
MW264.84 g/mol
LogP2.28
Rot. Bonds5

About 1-[3-(2-methoxyethyl)azepan-1-yl]-2-methylpropan-2-amine;hydrochloride

1-[3-(2-methoxyethyl)azepan-1-yl]-2-methylpropan-2-amine;hydrochloride (PubChem CID 120856496) has the molecular formula C13H29ClN2O and a molecular weight of 264.84 g/mol. Its IUPAC name is 1-[3-(2-methoxyethyl)azepan-1-yl]-2-methylpropan-2-amine;hydrochloride.

Molecular Properties

Compound Name1-[3-(2-methoxyethyl)azepan-1-yl]-2-methylpropan-2-amine;hydrochloride
PubChem CID120856496
Molecular FormulaC13H29ClN2O
Molecular Weight264.84 g/mol
Exact Mass264.20
IUPAC Name1-[3-(2-methoxyethyl)azepan-1-yl]-2-methylpropan-2-amine;hydrochloride
SMILESCOCCC1CCCCN(CC(C)(C)N)C1.Cl
InChIInChI=1S/C13H28N2O.ClH/c1-13(2,14)11-15-8-5-4-6-12(10-15)7-9-16-3;/h12H,4-11,14H2,1-3H3;1H
InChIKeyJWGNSUSEKJTCQO-UHFFFAOYSA-N
XLogP2.28
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.84
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[3-(2-methoxyethyl)azepan-1-yl]-2-methylpropan-2-amine;hydrochloride with MolForge

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Related Compounds

(3R)-1-ethyl-3-(2-methoxyethyl)piperidine
CID 173019182
1-(3-tert-butylpiperidin-1-yl)-2-methylpropan-2-amine;hydrochloride
CID 120858200
2-methyl-1-(3-methylsulfonylazepan-1-yl)propan-2-amine;hydrochloride
CID 120858030
(3R)-1-(2,2-dimethylpropylsulfonyl)-3-(2-methoxyethyl)azepane
CID 124735492
2-amino-3-[3-(methoxymethyl)piperidin-1-yl]-2-methylpropanenitrile
CID 106588532
3-[3-(methoxymethyl)piperidin-1-yl]-2,2-dimethylpropan-1-amine
CID 106587324
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl)-2-methylpropan-2-amine
CID 61267047
methyl 2-amino-3-[3-(methoxymethyl)piperidin-1-yl]-2-methylpropanoate
CID 106588642
5-[3-(methoxymethyl)piperidin-1-yl]-2-methylpentan-2-amine
CID 106587473
3-(2-chloroethyl)-1-(2-methoxyethyl)piperidine
CID 63388660
1-(1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl)-2-methylpropan-2-amine
CID 63151224
1-(2-ethyl-1,4-oxazepan-4-yl)-2-methylpropan-2-amine;hydrochloride
CID 120849628

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-methoxyethyl)azepan-1-yl]-2-methylpropan-2-amine;hydrochloride?
The IUPAC name of 1-[3-(2-methoxyethyl)azepan-1-yl]-2-methylpropan-2-amine;hydrochloride (CID 120856496) is 1-[3-(2-methoxyethyl)azepan-1-yl]-2-methylpropan-2-amine;hydrochloride.
What is the SMILES notation for 1-[3-(2-methoxyethyl)azepan-1-yl]-2-methylpropan-2-amine;hydrochloride?
The canonical SMILES for 1-[3-(2-methoxyethyl)azepan-1-yl]-2-methylpropan-2-amine;hydrochloride is COCCC1CCCCN(CC(C)(C)N)C1.Cl.
What is the InChIKey of 1-[3-(2-methoxyethyl)azepan-1-yl]-2-methylpropan-2-amine;hydrochloride?
The InChIKey is JWGNSUSEKJTCQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O.ClH/c1-13(2,14)11-15-8-5-4-6-12(10-15)7-9-16-3;/h12H,4-11,14H2,1-3H3;1H.
What are the key properties of 1-[3-(2-methoxyethyl)azepan-1-yl]-2-methylpropan-2-amine;hydrochloride?
1-[3-(2-methoxyethyl)azepan-1-yl]-2-methylpropan-2-amine;hydrochloride has a molecular weight of 264.84 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-methoxyethyl)azepan-1-yl]-2-methylpropan-2-amine;hydrochloride is sourced from PubChem (CID 120856496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).