4-(azepan-1-yl)-N-(2-methoxyethyl)butan-1-amine

C13H28N2O — CID 62568410

IUPAC4-(azepan-1-yl)-N-(2-methoxyethyl)butan-1-amine
SMILESCOCCNCCCCN1CCCCCC1
InChIInChI=1S/C13H28N2O/c1-16-13-9-14-8-4-7-12-15-10-5-2-3-6-11-15/h14H,2-13H2,1H3
InChIKeyUUIJCVMOENKHGN-UHFFFAOYSA-N
MW228.38 g/mol
LogP1.88
Rot. Bonds8

About 4-(azepan-1-yl)-N-(2-methoxyethyl)butan-1-amine

4-(azepan-1-yl)-N-(2-methoxyethyl)butan-1-amine (PubChem CID 62568410) has the molecular formula C13H28N2O and a molecular weight of 228.38 g/mol. Its IUPAC name is 4-(azepan-1-yl)-N-(2-methoxyethyl)butan-1-amine.

Molecular Properties

Compound Name4-(azepan-1-yl)-N-(2-methoxyethyl)butan-1-amine
PubChem CID62568410
Molecular FormulaC13H28N2O
Molecular Weight228.38 g/mol
Exact Mass228.22
IUPAC Name4-(azepan-1-yl)-N-(2-methoxyethyl)butan-1-amine
SMILESCOCCNCCCCN1CCCCCC1
InChIInChI=1S/C13H28N2O/c1-16-13-9-14-8-4-7-12-15-10-5-2-3-6-11-15/h14H,2-13H2,1H3
InChIKeyUUIJCVMOENKHGN-UHFFFAOYSA-N
XLogP1.88
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-methoxyethoxy)ethyl]-3-piperidin-1-ylpropan-1-amine
CID 114031951
4-piperidin-1-yl-N-(3-piperidin-1-ylpropyl)butan-1-amine
CID 142273923
4-piperidin-1-yl-N-propylbutan-1-amine
CID 62425057
N-(2-methoxyethyl)-3-(4-propylpiperazin-1-yl)propan-1-amine
CID 62568582
N-(2-methoxyethyl)-4-(3-pyrrolidin-1-ylpyrrolidin-1-yl)butan-1-amine
CID 55158579
ethane;1-(8-methoxyoctyl)piperidine
CID 142390794
N-[2-(3-methoxypropoxy)ethyl]-2-pyrrolidin-1-ylethanamine
CID 103178950
4-(3,4-dimethoxypyrrolidin-1-yl)-N-(2-methoxyethyl)butan-1-amine
CID 103540134
3-(4,4-dimethylpiperidin-1-yl)-N-(2-methoxyethyl)propan-1-amine
CID 62932034
4-methoxy-3-methyl-N-(3-piperidin-1-ylpropyl)butan-1-amine
CID 113411499
N-(2-methoxyethyl)-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)butan-1-amine
CID 63153557
N,N'-bis(2-methoxyethyl)butane-1,4-diamine
CID 62568234

Frequently Asked Questions

What is the IUPAC name of 4-(azepan-1-yl)-N-(2-methoxyethyl)butan-1-amine?
The IUPAC name of 4-(azepan-1-yl)-N-(2-methoxyethyl)butan-1-amine (CID 62568410) is 4-(azepan-1-yl)-N-(2-methoxyethyl)butan-1-amine.
What is the SMILES notation for 4-(azepan-1-yl)-N-(2-methoxyethyl)butan-1-amine?
The canonical SMILES for 4-(azepan-1-yl)-N-(2-methoxyethyl)butan-1-amine is COCCNCCCCN1CCCCCC1.
What is the InChIKey of 4-(azepan-1-yl)-N-(2-methoxyethyl)butan-1-amine?
The InChIKey is UUIJCVMOENKHGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O/c1-16-13-9-14-8-4-7-12-15-10-5-2-3-6-11-15/h14H,2-13H2,1H3.
What are the key properties of 4-(azepan-1-yl)-N-(2-methoxyethyl)butan-1-amine?
4-(azepan-1-yl)-N-(2-methoxyethyl)butan-1-amine has a molecular weight of 228.38 g/mol, XLogP of 1.88, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(azepan-1-yl)-N-(2-methoxyethyl)butan-1-amine is sourced from PubChem (CID 62568410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).