N-[(5-chlorothiophen-2-yl)-cycloheptylmethyl]ethanamine

C14H22ClNS — CID 63508833

IUPACN-[(5-chlorothiophen-2-yl)-cycloheptylmethyl]ethanamine
SMILESCCNC(c1ccc(Cl)s1)C1CCCCCC1
InChIInChI=1S/C14H22ClNS/c1-2-16-14(12-9-10-13(15)17-12)11-7-5-3-4-6-8-11/h9-11,14,16H,2-8H2,1H3
InChIKeyJFXXMPURIDUKKC-UHFFFAOYSA-N
MW271.86 g/mol
LogP5.02
Rot. Bonds4

About N-[(5-chlorothiophen-2-yl)-cycloheptylmethyl]ethanamine

N-[(5-chlorothiophen-2-yl)-cycloheptylmethyl]ethanamine (PubChem CID 63508833) has the molecular formula C14H22ClNS and a molecular weight of 271.86 g/mol. Its IUPAC name is N-[(5-chlorothiophen-2-yl)-cycloheptylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(5-chlorothiophen-2-yl)-cycloheptylmethyl]ethanamine
PubChem CID63508833
Molecular FormulaC14H22ClNS
Molecular Weight271.86 g/mol
Exact Mass271.12
IUPAC NameN-[(5-chlorothiophen-2-yl)-cycloheptylmethyl]ethanamine
SMILESCCNC(c1ccc(Cl)s1)C1CCCCCC1
InChIInChI=1S/C14H22ClNS/c1-2-16-14(12-9-10-13(15)17-12)11-7-5-3-4-6-8-11/h9-11,14,16H,2-8H2,1H3
InChIKeyJFXXMPURIDUKKC-UHFFFAOYSA-N
XLogP5.02
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500271.86
LogP ≤ 55.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-chlorothiophen-2-yl)-cyclobutylmethyl]propan-1-amine
CID 43497051
N-[(5-chlorothiophen-2-yl)-(oxan-3-yl)methyl]ethanamine
CID 63012736
N-[(5-chlorothiophen-2-yl)-(2-methylcyclopentyl)methyl]ethanamine
CID 107177424
N-[cyclooctyl-(2,5-dichlorothiophen-3-yl)methyl]ethanamine
CID 65018310
N-[cyclohexyl-(2,5-dichlorothiophen-3-yl)methyl]ethanamine
CID 43493095
N-[(4-bromo-5-chlorothiophen-2-yl)-cyclopentylmethyl]ethanamine
CID 102828558
N-[cyclohexyl(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methyl]ethanamine
CID 114981660
N-[1-(5-chlorothiophen-2-yl)ethyl]cycloheptanamine
CID 43427139
1-(5-chlorothiophen-2-yl)-2-cyclohexyl-2-ethoxy-N-methylethanamine
CID 116772291
N-[cyclopropyl-[5-(3,4-dichlorophenyl)thiophen-2-yl]methyl]ethanamine
CID 43288281
N-[cyclopentyl(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methyl]ethanamine
CID 115778778
N-[(5-bromothiophen-2-yl)-cyclopentylmethyl]propan-1-amine
CID 61104757

Frequently Asked Questions

What is the IUPAC name of N-[(5-chlorothiophen-2-yl)-cycloheptylmethyl]ethanamine?
The IUPAC name of N-[(5-chlorothiophen-2-yl)-cycloheptylmethyl]ethanamine (CID 63508833) is N-[(5-chlorothiophen-2-yl)-cycloheptylmethyl]ethanamine.
What is the SMILES notation for N-[(5-chlorothiophen-2-yl)-cycloheptylmethyl]ethanamine?
The canonical SMILES for N-[(5-chlorothiophen-2-yl)-cycloheptylmethyl]ethanamine is CCNC(c1ccc(Cl)s1)C1CCCCCC1.
What is the InChIKey of N-[(5-chlorothiophen-2-yl)-cycloheptylmethyl]ethanamine?
The InChIKey is JFXXMPURIDUKKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22ClNS/c1-2-16-14(12-9-10-13(15)17-12)11-7-5-3-4-6-8-11/h9-11,14,16H,2-8H2,1H3.
What are the key properties of N-[(5-chlorothiophen-2-yl)-cycloheptylmethyl]ethanamine?
N-[(5-chlorothiophen-2-yl)-cycloheptylmethyl]ethanamine has a molecular weight of 271.86 g/mol, XLogP of 5.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chlorothiophen-2-yl)-cycloheptylmethyl]ethanamine is sourced from PubChem (CID 63508833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).