1-ethyl-N-(4-iodophenyl)azepan-4-amine

C14H21IN2 — CID 65073993

IUPAC1-ethyl-N-(4-iodophenyl)azepan-4-amine
SMILESCCN1CCCC(Nc2ccc(I)cc2)CC1
InChIInChI=1S/C14H21IN2/c1-2-17-10-3-4-13(9-11-17)16-14-7-5-12(15)6-8-14/h5-8,13,16H,2-4,9-11H2,1H3
InChIKeyWSRYRAHLCLSSCN-UHFFFAOYSA-N
MW344.24 g/mol
LogP3.58
Rot. Bonds3

About 1-ethyl-N-(4-iodophenyl)azepan-4-amine

1-ethyl-N-(4-iodophenyl)azepan-4-amine (PubChem CID 65073993) has the molecular formula C14H21IN2 and a molecular weight of 344.24 g/mol. Its IUPAC name is 1-ethyl-N-(4-iodophenyl)azepan-4-amine.

Molecular Properties

Compound Name1-ethyl-N-(4-iodophenyl)azepan-4-amine
PubChem CID65073993
Molecular FormulaC14H21IN2
Molecular Weight344.24 g/mol
Exact Mass344.07
IUPAC Name1-ethyl-N-(4-iodophenyl)azepan-4-amine
SMILESCCN1CCCC(Nc2ccc(I)cc2)CC1
InChIInChI=1S/C14H21IN2/c1-2-17-10-3-4-13(9-11-17)16-14-7-5-12(15)6-8-14/h5-8,13,16H,2-4,9-11H2,1H3
InChIKeyWSRYRAHLCLSSCN-UHFFFAOYSA-N
XLogP3.58
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.24
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-ethyl-N-(4-iodo-2-methylphenyl)azepan-4-amine
CID 65074024
2-[4-[(1-ethylazepan-4-yl)amino]phenyl]-N-methylacetamide
CID 65074416
N-(4-bromo-3-chlorophenyl)-1-ethylazepan-4-amine
CID 107619168
N-(1,3-benzodioxol-5-yl)-1-ethylazepan-4-amine
CID 65072696
N-(1-ethylazepan-4-yl)-1H-indazol-6-amine
CID 65073550
N-(3-bromophenyl)-1-ethylazepan-4-amine
CID 65072536
N-[4-[(1-ethylpiperidin-4-yl)amino]phenyl]-2-methylpropanamide
CID 43683732
5-[(1-ethylazepan-4-yl)amino]-2-fluorobenzoic acid
CID 65074426
N-(2,6-difluorophenyl)-1-ethylazepan-4-amine
CID 65074729
1-ethyl-N-[4-(triazol-2-yl)phenyl]piperidin-4-amine
CID 43740311
N-(3-bromo-4-nitrophenyl)-1-ethylazepan-4-amine
CID 82864140
1-ethyl-N-(2,4,6-trichlorophenyl)azepan-4-amine
CID 65074238

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(4-iodophenyl)azepan-4-amine?
The IUPAC name of 1-ethyl-N-(4-iodophenyl)azepan-4-amine (CID 65073993) is 1-ethyl-N-(4-iodophenyl)azepan-4-amine.
What is the SMILES notation for 1-ethyl-N-(4-iodophenyl)azepan-4-amine?
The canonical SMILES for 1-ethyl-N-(4-iodophenyl)azepan-4-amine is CCN1CCCC(Nc2ccc(I)cc2)CC1.
What is the InChIKey of 1-ethyl-N-(4-iodophenyl)azepan-4-amine?
The InChIKey is WSRYRAHLCLSSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21IN2/c1-2-17-10-3-4-13(9-11-17)16-14-7-5-12(15)6-8-14/h5-8,13,16H,2-4,9-11H2,1H3.
What are the key properties of 1-ethyl-N-(4-iodophenyl)azepan-4-amine?
1-ethyl-N-(4-iodophenyl)azepan-4-amine has a molecular weight of 344.24 g/mol, XLogP of 3.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(4-iodophenyl)azepan-4-amine is sourced from PubChem (CID 65073993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).