2-methyl-2-[(2-methyl-1,4-oxazepan-4-yl)methyl]cyclopentan-1-amine

C13H26N2O — CID 82767674

IUPAC2-methyl-2-[(2-methyl-1,4-oxazepan-4-yl)methyl]cyclopentan-1-amine
SMILESCC1CN(CC2(C)CCCC2N)CCCO1
InChIInChI=1S/C13H26N2O/c1-11-9-15(7-4-8-16-11)10-13(2)6-3-5-12(13)14/h11-12H,3-10,14H2,1-2H3
InChIKeyBNEOQAHOAYEGKJ-UHFFFAOYSA-N
MW226.36 g/mol
LogP1.61
Rot. Bonds2

About 2-methyl-2-[(2-methyl-1,4-oxazepan-4-yl)methyl]cyclopentan-1-amine

2-methyl-2-[(2-methyl-1,4-oxazepan-4-yl)methyl]cyclopentan-1-amine (PubChem CID 82767674) has the molecular formula C13H26N2O and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-methyl-2-[(2-methyl-1,4-oxazepan-4-yl)methyl]cyclopentan-1-amine.

Molecular Properties

Compound Name2-methyl-2-[(2-methyl-1,4-oxazepan-4-yl)methyl]cyclopentan-1-amine
PubChem CID82767674
Molecular FormulaC13H26N2O
Molecular Weight226.36 g/mol
Exact Mass226.20
IUPAC Name2-methyl-2-[(2-methyl-1,4-oxazepan-4-yl)methyl]cyclopentan-1-amine
SMILESCC1CN(CC2(C)CCCC2N)CCCO1
InChIInChI=1S/C13H26N2O/c1-11-9-15(7-4-8-16-11)10-13(2)6-3-5-12(13)14/h11-12H,3-10,14H2,1-2H3
InChIKeyBNEOQAHOAYEGKJ-UHFFFAOYSA-N
XLogP1.61
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-methyl-2-[(2-methyl-1,4-oxazepan-4-yl)methyl]cyclopentan-1-amine 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

2-methyl-2-[[3-(trifluoromethyl)piperidin-1-yl]methyl]cyclopentan-1-amine
CID 82768664
2-[(3,3-dimethylpyrrolidin-1-yl)methyl]-2-methylcyclopentan-1-amine
CID 82768579
[1-amino-2-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]cyclopentyl]methanol
CID 79571069
2-methyl-2-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]cyclopentan-1-amine
CID 102744303
2-methyl-2-[[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methyl]cyclopentan-1-amine
CID 82768208
2-[(2-methyl-1,4-oxazepan-4-yl)methyl]cyclopentan-1-amine
CID 62974788
2-methyl-2-[[4-(2-methylpropyl)piperazin-1-yl]methyl]cyclopentan-1-amine
CID 82768206
N-[[3-[(2-methyl-1,4-oxazepan-4-yl)methyl]oxolan-3-yl]methyl]cyclopropanamine
CID 62974429
2-methyl-2-[(4-propylpiperidin-1-yl)methyl]cyclopentan-1-amine
CID 82767673
N-methyl-1-[1-[(2-methyl-1,4-oxazepan-4-yl)methyl]cyclohexyl]methanamine
CID 62973523
[1-(methylamino)-2-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]cyclopentyl]methanol
CID 79571001
2-[(7,7-dimethyl-1,4-thiazepan-4-yl)methyl]-2-methylcyclopentan-1-amine
CID 107456168

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(2-methyl-1,4-oxazepan-4-yl)methyl]cyclopentan-1-amine?
The IUPAC name of 2-methyl-2-[(2-methyl-1,4-oxazepan-4-yl)methyl]cyclopentan-1-amine (CID 82767674) is 2-methyl-2-[(2-methyl-1,4-oxazepan-4-yl)methyl]cyclopentan-1-amine.
What is the SMILES notation for 2-methyl-2-[(2-methyl-1,4-oxazepan-4-yl)methyl]cyclopentan-1-amine?
The canonical SMILES for 2-methyl-2-[(2-methyl-1,4-oxazepan-4-yl)methyl]cyclopentan-1-amine is CC1CN(CC2(C)CCCC2N)CCCO1.
What is the InChIKey of 2-methyl-2-[(2-methyl-1,4-oxazepan-4-yl)methyl]cyclopentan-1-amine?
The InChIKey is BNEOQAHOAYEGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O/c1-11-9-15(7-4-8-16-11)10-13(2)6-3-5-12(13)14/h11-12H,3-10,14H2,1-2H3.
What are the key properties of 2-methyl-2-[(2-methyl-1,4-oxazepan-4-yl)methyl]cyclopentan-1-amine?
2-methyl-2-[(2-methyl-1,4-oxazepan-4-yl)methyl]cyclopentan-1-amine has a molecular weight of 226.36 g/mol, XLogP of 1.61, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(2-methyl-1,4-oxazepan-4-yl)methyl]cyclopentan-1-amine is sourced from PubChem (CID 82767674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).