4-(3-methyl-1,4-oxazepan-4-yl)pentan-2-amine

C11H24N2O — CID 130952021

IUPAC4-(3-methyl-1,4-oxazepan-4-yl)pentan-2-amine
SMILESCC(N)CC(C)N1CCCOCC1C
InChIInChI=1S/C11H24N2O/c1-9(12)7-10(2)13-5-4-6-14-8-11(13)3/h9-11H,4-8,12H2,1-3H3
InChIKeyBXQYESUVNGWIRV-UHFFFAOYSA-N
MW200.33 g/mol
LogP1.22
Rot. Bonds3

About 4-(3-methyl-1,4-oxazepan-4-yl)pentan-2-amine

4-(3-methyl-1,4-oxazepan-4-yl)pentan-2-amine (PubChem CID 130952021) has the molecular formula C11H24N2O and a molecular weight of 200.33 g/mol. Its IUPAC name is 4-(3-methyl-1,4-oxazepan-4-yl)pentan-2-amine.

Molecular Properties

Compound Name4-(3-methyl-1,4-oxazepan-4-yl)pentan-2-amine
PubChem CID130952021
Molecular FormulaC11H24N2O
Molecular Weight200.33 g/mol
Exact Mass200.19
IUPAC Name4-(3-methyl-1,4-oxazepan-4-yl)pentan-2-amine
SMILESCC(N)CC(C)N1CCCOCC1C
InChIInChI=1S/C11H24N2O/c1-9(12)7-10(2)13-5-4-6-14-8-11(13)3/h9-11H,4-8,12H2,1-3H3
InChIKeyBXQYESUVNGWIRV-UHFFFAOYSA-N
XLogP1.22
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(3-methyl-1,4-oxazepan-4-yl)pentan-2-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

(2R)-2-[(3R)-3-methylmorpholin-4-yl]propan-1-amine
CID 124710087
2-(3-methyl-1,4-oxazepan-4-yl)propanamide
CID 130943361
3-methyl-4-pentan-2-ylmorpholine
CID 130660502
4-(1,4-oxazepan-4-yl)pentan-2-amine
CID 64708259
4-(2,4-dimethylpiperidin-1-yl)pentan-2-amine
CID 64708883
4-(2,3-dimethylpiperidin-1-yl)pentan-2-amine
CID 64707838
4-methyl-2-(3-methylmorpholin-4-yl)pentan-1-amine
CID 43541867
(3R)-3,4-dimethyl-1,4-oxazepane
CID 67472015
(2S)-N-(dicyclopropylmethyl)-2-[(3R)-3-methylmorpholin-4-yl]propan-1-amine
CID 97322384
(3R)-3,4-dimethyl-1,4-oxazepane;ethane
CID 178147511
3,4-di(propan-2-yl)-1,4-oxazepane
CID 123714088
N-ethyl-4-(3-methylmorpholin-4-yl)pentan-1-amine
CID 62422885

Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-1,4-oxazepan-4-yl)pentan-2-amine?
The IUPAC name of 4-(3-methyl-1,4-oxazepan-4-yl)pentan-2-amine (CID 130952021) is 4-(3-methyl-1,4-oxazepan-4-yl)pentan-2-amine.
What is the SMILES notation for 4-(3-methyl-1,4-oxazepan-4-yl)pentan-2-amine?
The canonical SMILES for 4-(3-methyl-1,4-oxazepan-4-yl)pentan-2-amine is CC(N)CC(C)N1CCCOCC1C.
What is the InChIKey of 4-(3-methyl-1,4-oxazepan-4-yl)pentan-2-amine?
The InChIKey is BXQYESUVNGWIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N2O/c1-9(12)7-10(2)13-5-4-6-14-8-11(13)3/h9-11H,4-8,12H2,1-3H3.
What are the key properties of 4-(3-methyl-1,4-oxazepan-4-yl)pentan-2-amine?
4-(3-methyl-1,4-oxazepan-4-yl)pentan-2-amine has a molecular weight of 200.33 g/mol, XLogP of 1.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-1,4-oxazepan-4-yl)pentan-2-amine is sourced from PubChem (CID 130952021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).