2-(1-tert-butylazepan-2-yl)ethanamine

C12H26N2 — CID 84668474

IUPAC2-(1-tert-butylazepan-2-yl)ethanamine
SMILESCC(C)(C)N1CCCCCC1CCN
InChIInChI=1S/C12H26N2/c1-12(2,3)14-10-6-4-5-7-11(14)8-9-13/h11H,4-10,13H2,1-3H3
InChIKeyOTLGUMFBKWVRSC-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.38
Rot. Bonds2

About 2-(1-tert-butylazepan-2-yl)ethanamine

2-(1-tert-butylazepan-2-yl)ethanamine (PubChem CID 84668474) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 2-(1-tert-butylazepan-2-yl)ethanamine.

Molecular Properties

Compound Name2-(1-tert-butylazepan-2-yl)ethanamine
PubChem CID84668474
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name2-(1-tert-butylazepan-2-yl)ethanamine
SMILESCC(C)(C)N1CCCCCC1CCN
InChIInChI=1S/C12H26N2/c1-12(2,3)14-10-6-4-5-7-11(14)8-9-13/h11H,4-10,13H2,1-3H3
InChIKeyOTLGUMFBKWVRSC-UHFFFAOYSA-N
XLogP2.38
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(1-tert-butylazepan-2-yl)ethanamine 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

(1-tert-butylpiperidin-2-yl)methanamine
CID 67209205
1-tert-butyl-2-propylpiperidine
CID 59028554
(1-tert-butylazepan-2-yl)methanol
CID 84660252
(2R)-1-tert-butyl-2-propylpyrrolidine
CID 126550968
1-tert-butyl-2-(fluoromethyl)piperidine
CID 171453847
(2S)-1-tert-butyl-2-propylpyrrolidine
CID 126658078
3-(1-tert-butylazetidin-2-yl)propan-1-amine
CID 84653909
2-methyl-2-(2-propylpiperidin-1-yl)propan-1-amine
CID 83053264
2-[(2S)-1-methylazepan-2-yl]ethanamine;molecular hydrogen
CID 178143502
1-(1-tert-butylpiperidin-2-yl)-N,N-dimethylmethanamine
CID 21132217
2-[1-(3,3-difluorobutyl)azepan-2-yl]ethanamine
CID 84697916
2-[1-(3,3-difluorobutyl)piperidin-2-yl]ethanamine
CID 84685954

Frequently Asked Questions

What is the IUPAC name of 2-(1-tert-butylazepan-2-yl)ethanamine?
The IUPAC name of 2-(1-tert-butylazepan-2-yl)ethanamine (CID 84668474) is 2-(1-tert-butylazepan-2-yl)ethanamine.
What is the SMILES notation for 2-(1-tert-butylazepan-2-yl)ethanamine?
The canonical SMILES for 2-(1-tert-butylazepan-2-yl)ethanamine is CC(C)(C)N1CCCCCC1CCN.
What is the InChIKey of 2-(1-tert-butylazepan-2-yl)ethanamine?
The InChIKey is OTLGUMFBKWVRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-12(2,3)14-10-6-4-5-7-11(14)8-9-13/h11H,4-10,13H2,1-3H3.
What are the key properties of 2-(1-tert-butylazepan-2-yl)ethanamine?
2-(1-tert-butylazepan-2-yl)ethanamine has a molecular weight of 198.35 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-tert-butylazepan-2-yl)ethanamine is sourced from PubChem (CID 84668474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).