N-(2-cyclohexyloxyethyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine

C14H26N2O — CID 79503429

IUPACN-(2-cyclohexyloxyethyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine
SMILESC1CCN=C(NCCOC2CCCCC2)CC1
InChIInChI=1S/C14H26N2O/c1-3-7-13(8-4-1)17-12-11-16-14-9-5-2-6-10-15-14/h13H,1-12H2,(H,15,16)
InChIKeyRVYKLCCPSVVZRM-UHFFFAOYSA-N
MW238.37 g/mol
LogP2.90
Rot. Bonds4

About N-(2-cyclohexyloxyethyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine

N-(2-cyclohexyloxyethyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine (PubChem CID 79503429) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is N-(2-cyclohexyloxyethyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine.

Molecular Properties

Compound NameN-(2-cyclohexyloxyethyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine
PubChem CID79503429
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC NameN-(2-cyclohexyloxyethyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine
SMILESC1CCN=C(NCCOC2CCCCC2)CC1
InChIInChI=1S/C14H26N2O/c1-3-7-13(8-4-1)17-12-11-16-14-9-5-2-6-10-15-14/h13H,1-12H2,(H,15,16)
InChIKeyRVYKLCCPSVVZRM-UHFFFAOYSA-N
XLogP2.90
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-(2-cyclohexyloxyethyl)-3,4,5,6-tetrahydro-2H-azepin-7-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

N-[2-(3-methylbutoxy)ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 79508900
N-(2-butoxyethyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 79507601
N-(4-methylpentyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 79006687
5-(2,3,4,5-tetrahydropyridin-6-ylamino)pentan-1-ol
CID 107317400
N',N'-dimethyl-N-(2,3,4,5-tetrahydropyridin-6-yl)ethane-1,2-diamine
CID 79508863
N-[(2-methylcyclohexyl)methyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 79507725
tert-butyl 6-(2-cyclopentyloxyethylamino)-3,5-dihydro-2H-pyrazine-4-carboxylate
CID 103398163
N-(iodomethyl)-2,3,4,5-tetrahydropyridin-6-amine
CID 135291577
N-(2-cyclohexyloxyethyl)cyclohexanamine
CID 62567044
N-(2-cyclohexyloxyethyl)-5-methyl-4,5-dihydro-1,3-thiazol-2-amine
CID 63826687
N-(3-butoxypropyl)-3,4-dihydro-2H-pyrrol-5-amine
CID 115571546
2-[2-(3,4-dihydro-2H-pyrrol-5-ylamino)ethyl]-3,4,5,6-tetrahydro-2H-azepin-7-amine
CID 19369259

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclohexyloxyethyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine?
The IUPAC name of N-(2-cyclohexyloxyethyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine (CID 79503429) is N-(2-cyclohexyloxyethyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine.
What is the SMILES notation for N-(2-cyclohexyloxyethyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine?
The canonical SMILES for N-(2-cyclohexyloxyethyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine is C1CCN=C(NCCOC2CCCCC2)CC1.
What is the InChIKey of N-(2-cyclohexyloxyethyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine?
The InChIKey is RVYKLCCPSVVZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-3-7-13(8-4-1)17-12-11-16-14-9-5-2-6-10-15-14/h13H,1-12H2,(H,15,16).
What are the key properties of N-(2-cyclohexyloxyethyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine?
N-(2-cyclohexyloxyethyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine has a molecular weight of 238.37 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclohexyloxyethyl)-3,4,5,6-tetrahydro-2H-azepin-7-amine is sourced from PubChem (CID 79503429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).