1-ethyl-N-[(4-ethylphenyl)methyl]azepan-4-amine

C17H28N2 — CID 106899503

IUPAC1-ethyl-N-[(4-ethylphenyl)methyl]azepan-4-amine
SMILESCCc1ccc(CNC2CCCN(CC)CC2)cc1
InChIInChI=1S/C17H28N2/c1-3-15-7-9-16(10-8-15)14-18-17-6-5-12-19(4-2)13-11-17/h7-10,17-18H,3-6,11-14H2,1-2H3
InChIKeyVNPRLRVUSZXCFO-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.21
Rot. Bonds5

About 1-ethyl-N-[(4-ethylphenyl)methyl]azepan-4-amine

1-ethyl-N-[(4-ethylphenyl)methyl]azepan-4-amine (PubChem CID 106899503) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 1-ethyl-N-[(4-ethylphenyl)methyl]azepan-4-amine.

Molecular Properties

Compound Name1-ethyl-N-[(4-ethylphenyl)methyl]azepan-4-amine
PubChem CID106899503
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name1-ethyl-N-[(4-ethylphenyl)methyl]azepan-4-amine
SMILESCCc1ccc(CNC2CCCN(CC)CC2)cc1
InChIInChI=1S/C17H28N2/c1-3-15-7-9-16(10-8-15)14-18-17-6-5-12-19(4-2)13-11-17/h7-10,17-18H,3-6,11-14H2,1-2H3
InChIKeyVNPRLRVUSZXCFO-UHFFFAOYSA-N
XLogP3.21
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-ethoxyphenyl)methyl]-1-ethylpiperidin-4-amine
CID 60657865
1-ethyl-N-(1H-pyrazol-4-ylmethyl)azepan-4-amine
CID 65073278
1-ethyl-N-(pyridin-2-ylmethyl)azepan-4-amine
CID 65072640
4-[[(1-ethylpiperidin-4-yl)amino]methyl]-N-methylbenzamide
CID 28620099
N-benzyl-2-[(1-ethylazepan-4-yl)amino]acetamide
CID 65073911
1-ethyl-N-(1,3-thiazol-2-ylmethyl)azepan-4-amine
CID 65073772
1-benzyl-N-[(4-phenylphenyl)methyl]azepan-4-amine;ethane
CID 142128621
4-[[(1-ethylpiperidin-4-yl)amino]methyl]-2-fluorophenol
CID 103784727
1-ethyl-N-[(4-nitrophenyl)methyl]piperidin-3-amine
CID 61171344
1-ethyl-N-[(4-propan-2-yloxyphenyl)methyl]piperidin-3-amine
CID 61170766
1-ethyl-N-[(4-prop-2-enoxyphenyl)methyl]piperidin-3-amine
CID 61171932
N-[(4-ethylphenyl)methyl]-1-pyridin-2-ylpiperidin-4-amine
CID 119126767

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[(4-ethylphenyl)methyl]azepan-4-amine?
The IUPAC name of 1-ethyl-N-[(4-ethylphenyl)methyl]azepan-4-amine (CID 106899503) is 1-ethyl-N-[(4-ethylphenyl)methyl]azepan-4-amine.
What is the SMILES notation for 1-ethyl-N-[(4-ethylphenyl)methyl]azepan-4-amine?
The canonical SMILES for 1-ethyl-N-[(4-ethylphenyl)methyl]azepan-4-amine is CCc1ccc(CNC2CCCN(CC)CC2)cc1.
What is the InChIKey of 1-ethyl-N-[(4-ethylphenyl)methyl]azepan-4-amine?
The InChIKey is VNPRLRVUSZXCFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-3-15-7-9-16(10-8-15)14-18-17-6-5-12-19(4-2)13-11-17/h7-10,17-18H,3-6,11-14H2,1-2H3.
What are the key properties of 1-ethyl-N-[(4-ethylphenyl)methyl]azepan-4-amine?
1-ethyl-N-[(4-ethylphenyl)methyl]azepan-4-amine has a molecular weight of 260.43 g/mol, XLogP of 3.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[(4-ethylphenyl)methyl]azepan-4-amine is sourced from PubChem (CID 106899503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).