[3-(4-tert-butylazepan-1-yl)-2-methyloxolan-3-yl]methanamine

C16H32N2O — CID 82718302

IUPAC[3-(4-tert-butylazepan-1-yl)-2-methyloxolan-3-yl]methanamine
SMILESCC1OCCC1(CN)N1CCCC(C(C)(C)C)CC1
InChIInChI=1S/C16H32N2O/c1-13-16(12-17,8-11-19-13)18-9-5-6-14(7-10-18)15(2,3)4/h13-14H,5-12,17H2,1-4H3
InChIKeyBRXBPYWYRYZAHF-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.64
Rot. Bonds2

About [3-(4-tert-butylazepan-1-yl)-2-methyloxolan-3-yl]methanamine

[3-(4-tert-butylazepan-1-yl)-2-methyloxolan-3-yl]methanamine (PubChem CID 82718302) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is [3-(4-tert-butylazepan-1-yl)-2-methyloxolan-3-yl]methanamine.

Molecular Properties

Compound Name[3-(4-tert-butylazepan-1-yl)-2-methyloxolan-3-yl]methanamine
PubChem CID82718302
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name[3-(4-tert-butylazepan-1-yl)-2-methyloxolan-3-yl]methanamine
SMILESCC1OCCC1(CN)N1CCCC(C(C)(C)C)CC1
InChIInChI=1S/C16H32N2O/c1-13-16(12-17,8-11-19-13)18-9-5-6-14(7-10-18)15(2,3)4/h13-14H,5-12,17H2,1-4H3
InChIKeyBRXBPYWYRYZAHF-UHFFFAOYSA-N
XLogP2.64
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-(4-tert-butylazepan-1-yl)-2-methyloxolan-3-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[3-(4-tert-butylpiperidin-1-yl)-2-methyloxolan-3-yl]methanamine
CID 82719050
[3-(4-ethylpiperidin-1-yl)-2-methyloxolan-3-yl]methanamine
CID 82718747
(2-methyl-3-morpholin-4-yloxolan-3-yl)methanamine
CID 82719374
1-[1-[3-(aminomethyl)-2-methyloxolan-3-yl]piperidin-4-yl]-N,N-dimethylmethanamine
CID 82719164
[1-(4-tert-butylazepan-1-yl)-2-methoxycyclohexyl]methanamine
CID 106872557
[3-(2,6-dimethylmorpholin-4-yl)-2-methyloxolan-3-yl]methanamine
CID 82717624
[2-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)oxolan-3-yl]methanamine
CID 82717981
[2-methyl-3-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)oxolan-3-yl]methanamine
CID 82718467
[3-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-2-methyloxolan-3-yl]methanamine
CID 82718925
[1-(4-tert-butylpiperidin-1-yl)-2,4,4-trimethylcyclopentyl]methanamine
CID 106663109
[4-tert-butyl-1-(3-methylpiperidin-1-yl)cyclohexyl]methanamine
CID 43079349
[2-methyl-3-(2,2,6-trimethylmorpholin-4-yl)oxolan-3-yl]methanamine
CID 82719280

Frequently Asked Questions

What is the IUPAC name of [3-(4-tert-butylazepan-1-yl)-2-methyloxolan-3-yl]methanamine?
The IUPAC name of [3-(4-tert-butylazepan-1-yl)-2-methyloxolan-3-yl]methanamine (CID 82718302) is [3-(4-tert-butylazepan-1-yl)-2-methyloxolan-3-yl]methanamine.
What is the SMILES notation for [3-(4-tert-butylazepan-1-yl)-2-methyloxolan-3-yl]methanamine?
The canonical SMILES for [3-(4-tert-butylazepan-1-yl)-2-methyloxolan-3-yl]methanamine is CC1OCCC1(CN)N1CCCC(C(C)(C)C)CC1.
What is the InChIKey of [3-(4-tert-butylazepan-1-yl)-2-methyloxolan-3-yl]methanamine?
The InChIKey is BRXBPYWYRYZAHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-13-16(12-17,8-11-19-13)18-9-5-6-14(7-10-18)15(2,3)4/h13-14H,5-12,17H2,1-4H3.
What are the key properties of [3-(4-tert-butylazepan-1-yl)-2-methyloxolan-3-yl]methanamine?
[3-(4-tert-butylazepan-1-yl)-2-methyloxolan-3-yl]methanamine has a molecular weight of 268.44 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-tert-butylazepan-1-yl)-2-methyloxolan-3-yl]methanamine is sourced from PubChem (CID 82718302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).