N-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]hexan-1-amine

C14H30N2O — CID 62967255

IUPACN-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]hexan-1-amine
SMILESCCCCCCNCCN1CCCOC(C)C1
InChIInChI=1S/C14H30N2O/c1-3-4-5-6-8-15-9-11-16-10-7-12-17-14(2)13-16/h14-15H,3-13H2,1-2H3
InChIKeyCDJVXVMWOGQSHV-UHFFFAOYSA-N
MW242.41 g/mol
LogP2.27
Rot. Bonds8

About N-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]hexan-1-amine

N-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]hexan-1-amine (PubChem CID 62967255) has the molecular formula C14H30N2O and a molecular weight of 242.41 g/mol. Its IUPAC name is N-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]hexan-1-amine.

Molecular Properties

Compound NameN-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]hexan-1-amine
PubChem CID62967255
Molecular FormulaC14H30N2O
Molecular Weight242.41 g/mol
Exact Mass242.24
IUPAC NameN-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]hexan-1-amine
SMILESCCCCCCNCCN1CCCOC(C)C1
InChIInChI=1S/C14H30N2O/c1-3-4-5-6-8-15-9-11-16-10-7-12-17-14(2)13-16/h14-15H,3-13H2,1-2H3
InChIKeyCDJVXVMWOGQSHV-UHFFFAOYSA-N
XLogP2.27
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]hexan-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-N-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]propan-1-amine
CID 62973749
2,2,2-trifluoro-N-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]ethanamine
CID 62966726
N-(2-butoxyethyl)-2-(2-methylmorpholin-4-yl)ethanamine
CID 62575904
N-[2-(azepan-1-yl)ethyl]hexan-1-amine
CID 61239608
N-(2-pyrrolidin-1-ylethyl)pentan-1-amine
CID 28654194
azane;4-dodecyl-2-methylmorpholine;hydrobromide
CID 174921468
4-(9-bromononyl)-2-methyl-1,4-oxazepane
CID 105343753
6-(2-methyl-1,4-oxazepan-4-yl)hexan-3-amine
CID 106799763
3-(2-methyl-1,4-oxazepan-4-yl)propan-1-amine
CID 62987056
N-[2-[4-[(2-methyl-1,4-oxazepan-4-yl)methyl]phenyl]ethyl]propan-1-amine
CID 105347604
N-(3-pyrrolidin-1-ylpropyl)heptan-1-amine
CID 43130243
1-cyclopropyl-N-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]ethanamine
CID 62967083

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]hexan-1-amine?
The IUPAC name of N-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]hexan-1-amine (CID 62967255) is N-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]hexan-1-amine.
What is the SMILES notation for N-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]hexan-1-amine?
The canonical SMILES for N-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]hexan-1-amine is CCCCCCNCCN1CCCOC(C)C1.
What is the InChIKey of N-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]hexan-1-amine?
The InChIKey is CDJVXVMWOGQSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H30N2O/c1-3-4-5-6-8-15-9-11-16-10-7-12-17-14(2)13-16/h14-15H,3-13H2,1-2H3.
What are the key properties of N-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]hexan-1-amine?
N-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]hexan-1-amine has a molecular weight of 242.41 g/mol, XLogP of 2.27, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methyl-1,4-oxazepan-4-yl)ethyl]hexan-1-amine is sourced from PubChem (CID 62967255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).