N-(4-pentylphenyl)oxepan-4-amine

C17H27NO — CID 65076671

IUPACN-(4-pentylphenyl)oxepan-4-amine
SMILESCCCCCc1ccc(NC2CCCOCC2)cc1
InChIInChI=1S/C17H27NO/c1-2-3-4-6-15-8-10-17(11-9-15)18-16-7-5-13-19-14-12-16/h8-11,16,18H,2-7,12-14H2,1H3
InChIKeyBXHNTIPBRXGBPH-UHFFFAOYSA-N
MW261.41 g/mol
LogP4.40
Rot. Bonds6

About N-(4-pentylphenyl)oxepan-4-amine

N-(4-pentylphenyl)oxepan-4-amine (PubChem CID 65076671) has the molecular formula C17H27NO and a molecular weight of 261.41 g/mol. Its IUPAC name is N-(4-pentylphenyl)oxepan-4-amine.

Molecular Properties

Compound NameN-(4-pentylphenyl)oxepan-4-amine
PubChem CID65076671
Molecular FormulaC17H27NO
Molecular Weight261.41 g/mol
Exact Mass261.21
IUPAC NameN-(4-pentylphenyl)oxepan-4-amine
SMILESCCCCCc1ccc(NC2CCCOCC2)cc1
InChIInChI=1S/C17H27NO/c1-2-3-4-6-15-8-10-17(11-9-15)18-16-7-5-13-19-14-12-16/h8-11,16,18H,2-7,12-14H2,1H3
InChIKeyBXHNTIPBRXGBPH-UHFFFAOYSA-N
XLogP4.40
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-ethoxyphenyl)oxepan-4-amine
CID 65076928
N-(4-propylphenyl)oxolan-3-amine
CID 63331785
N-(4-butylphenyl)-4-ethylcycloheptan-1-amine
CID 65082977
N-(4-ethylsulfonylphenyl)oxepan-4-amine
CID 65082034
(4S)-N-(4-ethylsulfonylphenyl)oxepan-4-amine
CID 124512282
4-N,4-N-dimethyl-1-N-(oxepan-4-yl)benzene-1,4-diamine
CID 65081872
4-butyl-N-(3-methylcyclohexyl)aniline
CID 43103232
N-[4-(pyrazol-1-ylmethyl)phenyl]oxepan-4-amine
CID 65081807
2-amino-2-(oxan-4-yl)-N-(4-pentylphenyl)acetamide
CID 120784146
1-cyclohexyl-3-(4-hexylphenyl)urea
CID 4231179
N-(4-propylphenyl)oxetan-3-amine
CID 63624203
N-(4-ethylphenyl)cyclododecanamine
CID 63422898

Frequently Asked Questions

What is the IUPAC name of N-(4-pentylphenyl)oxepan-4-amine?
The IUPAC name of N-(4-pentylphenyl)oxepan-4-amine (CID 65076671) is N-(4-pentylphenyl)oxepan-4-amine.
What is the SMILES notation for N-(4-pentylphenyl)oxepan-4-amine?
The canonical SMILES for N-(4-pentylphenyl)oxepan-4-amine is CCCCCc1ccc(NC2CCCOCC2)cc1.
What is the InChIKey of N-(4-pentylphenyl)oxepan-4-amine?
The InChIKey is BXHNTIPBRXGBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO/c1-2-3-4-6-15-8-10-17(11-9-15)18-16-7-5-13-19-14-12-16/h8-11,16,18H,2-7,12-14H2,1H3.
What are the key properties of N-(4-pentylphenyl)oxepan-4-amine?
N-(4-pentylphenyl)oxepan-4-amine has a molecular weight of 261.41 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pentylphenyl)oxepan-4-amine is sourced from PubChem (CID 65076671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).