2-(4-tert-butylazepan-1-yl)-4-methoxy-4-methylpentan-1-amine

C17H36N2O — CID 106675715

IUPAC2-(4-tert-butylazepan-1-yl)-4-methoxy-4-methylpentan-1-amine
SMILESCOC(C)(C)CC(CN)N1CCCC(C(C)(C)C)CC1
InChIInChI=1S/C17H36N2O/c1-16(2,3)14-8-7-10-19(11-9-14)15(13-18)12-17(4,5)20-6/h14-15H,7-13,18H2,1-6H3
InChIKeyADFJENADAMRJEN-UHFFFAOYSA-N
MW284.49 g/mol
LogP3.28
Rot. Bonds5

About 2-(4-tert-butylazepan-1-yl)-4-methoxy-4-methylpentan-1-amine

2-(4-tert-butylazepan-1-yl)-4-methoxy-4-methylpentan-1-amine (PubChem CID 106675715) has the molecular formula C17H36N2O and a molecular weight of 284.49 g/mol. Its IUPAC name is 2-(4-tert-butylazepan-1-yl)-4-methoxy-4-methylpentan-1-amine.

Molecular Properties

Compound Name2-(4-tert-butylazepan-1-yl)-4-methoxy-4-methylpentan-1-amine
PubChem CID106675715
Molecular FormulaC17H36N2O
Molecular Weight284.49 g/mol
Exact Mass284.28
IUPAC Name2-(4-tert-butylazepan-1-yl)-4-methoxy-4-methylpentan-1-amine
SMILESCOC(C)(C)CC(CN)N1CCCC(C(C)(C)C)CC1
InChIInChI=1S/C17H36N2O/c1-16(2,3)14-8-7-10-19(11-9-14)15(13-18)12-17(4,5)20-6/h14-15H,7-13,18H2,1-6H3
InChIKeyADFJENADAMRJEN-UHFFFAOYSA-N
XLogP3.28
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.49
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(2-amino-4-methoxy-4-methylpentyl)-1,4-diazepan-1-yl]-N,2,2,4-tetramethylpentan-1-amine;ethane
CID 142367475
N-[2-(azepan-1-yl)ethyl]-4-methoxy-4-methylpentan-2-amine
CID 61240765
4-Methoxy-1-(4-methylazepan-1-yl)butan-2-amine
CID 63625635
2-(4-Tert-butylazepan-1-yl)-4-methoxy-2-methylbutan-1-amine
CID 64352784
2-(4-Tert-butylazepan-1-yl)-2-(oxolan-3-yl)ethanamine
CID 64353951
2-(4-Tert-butylazepan-1-yl)-2-(oxan-4-yl)ethanamine
CID 64354341
1-(4-Ethylazepan-1-yl)-4-methoxybutan-2-amine
CID 64354714
1-(4-Tert-butylazepan-1-yl)-4-methoxybutan-2-amine
CID 64355316
4-Methoxy-1-(4-propan-2-ylazepan-1-yl)butan-2-amine
CID 64357414
N-(3-ethoxypropyl)-2-(4-propan-2-ylazepan-1-yl)propan-1-amine
CID 64389385
2-(4-tert-butylazepan-1-yl)-N-(oxolan-3-ylmethyl)ethanamine
CID 64389390
N-[2-(4-tert-butylazepan-1-yl)ethyl]-3-methoxypropan-1-amine
CID 64389775

Frequently Asked Questions

What is the IUPAC name of 2-(4-tert-butylazepan-1-yl)-4-methoxy-4-methylpentan-1-amine?
The IUPAC name of 2-(4-tert-butylazepan-1-yl)-4-methoxy-4-methylpentan-1-amine (CID 106675715) is 2-(4-tert-butylazepan-1-yl)-4-methoxy-4-methylpentan-1-amine.
What is the SMILES notation for 2-(4-tert-butylazepan-1-yl)-4-methoxy-4-methylpentan-1-amine?
The canonical SMILES for 2-(4-tert-butylazepan-1-yl)-4-methoxy-4-methylpentan-1-amine is COC(C)(C)CC(CN)N1CCCC(C(C)(C)C)CC1.
What is the InChIKey of 2-(4-tert-butylazepan-1-yl)-4-methoxy-4-methylpentan-1-amine?
The InChIKey is ADFJENADAMRJEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H36N2O/c1-16(2,3)14-8-7-10-19(11-9-14)15(13-18)12-17(4,5)20-6/h14-15H,7-13,18H2,1-6H3.
What are the key properties of 2-(4-tert-butylazepan-1-yl)-4-methoxy-4-methylpentan-1-amine?
2-(4-tert-butylazepan-1-yl)-4-methoxy-4-methylpentan-1-amine has a molecular weight of 284.49 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-tert-butylazepan-1-yl)-4-methoxy-4-methylpentan-1-amine is sourced from PubChem (CID 106675715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).