N-[1-(5-chlorothiophen-2-yl)ethyl]-1-ethylazepan-4-amine

C14H23ClN2S — CID 65074018

IUPACN-[1-(5-chlorothiophen-2-yl)ethyl]-1-ethylazepan-4-amine
SMILESCCN1CCCC(NC(C)c2ccc(Cl)s2)CC1
InChIInChI=1S/C14H23ClN2S/c1-3-17-9-4-5-12(8-10-17)16-11(2)13-6-7-14(15)18-13/h6-7,11-12,16H,3-5,8-10H2,1-2H3
InChIKeyKNQNIEJEILRZJX-UHFFFAOYSA-N
MW286.87 g/mol
LogP3.93
Rot. Bonds4

About N-[1-(5-chlorothiophen-2-yl)ethyl]-1-ethylazepan-4-amine

N-[1-(5-chlorothiophen-2-yl)ethyl]-1-ethylazepan-4-amine (PubChem CID 65074018) has the molecular formula C14H23ClN2S and a molecular weight of 286.87 g/mol. Its IUPAC name is N-[1-(5-chlorothiophen-2-yl)ethyl]-1-ethylazepan-4-amine.

Molecular Properties

Compound NameN-[1-(5-chlorothiophen-2-yl)ethyl]-1-ethylazepan-4-amine
PubChem CID65074018
Molecular FormulaC14H23ClN2S
Molecular Weight286.87 g/mol
Exact Mass286.13
IUPAC NameN-[1-(5-chlorothiophen-2-yl)ethyl]-1-ethylazepan-4-amine
SMILESCCN1CCCC(NC(C)c2ccc(Cl)s2)CC1
InChIInChI=1S/C14H23ClN2S/c1-3-17-9-4-5-12(8-10-17)16-11(2)13-6-7-14(15)18-13/h6-7,11-12,16H,3-5,8-10H2,1-2H3
InChIKeyKNQNIEJEILRZJX-UHFFFAOYSA-N
XLogP3.93
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.87
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(5-chlorothiophen-2-yl)ethyl]cyclobutanamine
CID 130718926
N-[1-(5-chlorothiophen-2-yl)ethyl]cycloheptanamine
CID 43427139
1-ethyl-N-[(1S)-1-(4-methylphenyl)ethyl]azepan-4-amine
CID 81356240
1-propyl-N-[(1S)-1-thiophen-2-ylethyl]azepan-4-amine
CID 81398218
N-[1-(5-chlorothiophen-2-yl)ethyl]-4-propan-2-yloxycyclohexan-1-amine
CID 75470334
N-[(1S)-1-cyclohexylethyl]-1-ethylazepan-4-amine
CID 81384724
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-(1-propylpiperidin-4-yl)ethanamine
CID 43692479
1-ethyl-N-[1-(5-methylthiophen-2-yl)propan-2-yl]azepan-4-amine
CID 65078689
N-[1-(4-bromothiophen-2-yl)ethyl]-1-ethylpiperidin-4-amine
CID 107167172
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine
CID 43692476
2-[(1-ethylazepan-4-yl)amino]propan-1-ol
CID 65074145
N-[2-(5-chlorothiophen-2-yl)ethyl]-1-ethylpiperidin-4-amine
CID 113260642

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-1-ethylazepan-4-amine?
The IUPAC name of N-[1-(5-chlorothiophen-2-yl)ethyl]-1-ethylazepan-4-amine (CID 65074018) is N-[1-(5-chlorothiophen-2-yl)ethyl]-1-ethylazepan-4-amine.
What is the SMILES notation for N-[1-(5-chlorothiophen-2-yl)ethyl]-1-ethylazepan-4-amine?
The canonical SMILES for N-[1-(5-chlorothiophen-2-yl)ethyl]-1-ethylazepan-4-amine is CCN1CCCC(NC(C)c2ccc(Cl)s2)CC1.
What is the InChIKey of N-[1-(5-chlorothiophen-2-yl)ethyl]-1-ethylazepan-4-amine?
The InChIKey is KNQNIEJEILRZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2S/c1-3-17-9-4-5-12(8-10-17)16-11(2)13-6-7-14(15)18-13/h6-7,11-12,16H,3-5,8-10H2,1-2H3.
What are the key properties of N-[1-(5-chlorothiophen-2-yl)ethyl]-1-ethylazepan-4-amine?
N-[1-(5-chlorothiophen-2-yl)ethyl]-1-ethylazepan-4-amine has a molecular weight of 286.87 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-chlorothiophen-2-yl)ethyl]-1-ethylazepan-4-amine is sourced from PubChem (CID 65074018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).