(2E)-N-[2-(5-chlorothiophen-2-yl)ethyl]cyclooct-2-en-1-amine

C14H20ClNS — CID 114227927

IUPAC(2E)-N-[2-(5-chlorothiophen-2-yl)ethyl]cyclooct-2-en-1-amine
SMILESClc1ccc(CCNC2/C=C\CCCCC2)s1
InChIInChI=1S/C14H20ClNS/c15-14-9-8-13(17-14)10-11-16-12-6-4-2-1-3-5-7-12/h4,6,8-9,12,16H,1-3,5,7,10-11H2/b6-4-
InChIKeyVQZZOXFDJJDVSW-XQRVVYSFSA-N
MW269.84 g/mol
LogP4.42
Rot. Bonds4

About (2E)-N-[2-(5-chlorothiophen-2-yl)ethyl]cyclooct-2-en-1-amine

(2E)-N-[2-(5-chlorothiophen-2-yl)ethyl]cyclooct-2-en-1-amine (PubChem CID 114227927) has the molecular formula C14H20ClNS and a molecular weight of 269.84 g/mol. Its IUPAC name is (2E)-N-[2-(5-chlorothiophen-2-yl)ethyl]cyclooct-2-en-1-amine.

Molecular Properties

Compound Name(2E)-N-[2-(5-chlorothiophen-2-yl)ethyl]cyclooct-2-en-1-amine
PubChem CID114227927
Molecular FormulaC14H20ClNS
Molecular Weight269.84 g/mol
Exact Mass269.10
IUPAC Name(2E)-N-[2-(5-chlorothiophen-2-yl)ethyl]cyclooct-2-en-1-amine
SMILESClc1ccc(CCNC2/C=C\CCCCC2)s1
InChIInChI=1S/C14H20ClNS/c15-14-9-8-13(17-14)10-11-16-12-6-4-2-1-3-5-7-12/h4,6,8-9,12,16H,1-3,5,7,10-11H2/b6-4-
InChIKeyVQZZOXFDJJDVSW-XQRVVYSFSA-N
XLogP4.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.84
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(5-chlorothiophen-2-yl)ethyl]thian-4-amine;hydrochloride
CID 115582706
N-[2-(5-chlorothiophen-2-yl)ethyl]-2,6-dimethylcyclohexan-1-amine
CID 106041165
trans-(1S,2S)-2-[2-(5-chlorothiophen-2-yl)ethylamino]cyclopentan-1-ol
CID 106046578
N-[2-(5-chlorothiophen-2-yl)ethyl]-4-methylcyclohexan-1-amine
CID 103698612
2-[2-(5-chlorothiophen-2-yl)ethylamino]cycloheptane-1-carbonitrile
CID 114140415
N-[3-(5-chlorothiophen-2-yl)propyl]cyclopropanamine
CID 62528423
N-[2-(5-chlorothiophen-2-yl)ethyl]-1-ethylpiperidin-4-amine
CID 113260642
N-[6-(5-chlorothiophen-2-yl)hexyl]cyclopropanamine
CID 65308853
1-[2-(5-chlorothiophen-2-yl)ethyl]-3-cyclohexyl-2-methylguanidine
CID 110957680
N-(2-thiophen-3-ylethyl)cyclohex-2-en-1-amine
CID 107906760
N-[2-(5-chlorothiophen-2-yl)ethyl]pyrrolidin-3-amine
CID 106042378
2-[[[(2E)-cyclooct-2-en-1-yl]amino]methyl]phenol
CID 114227893

Frequently Asked Questions

What is the IUPAC name of (2E)-N-[2-(5-chlorothiophen-2-yl)ethyl]cyclooct-2-en-1-amine?
The IUPAC name of (2E)-N-[2-(5-chlorothiophen-2-yl)ethyl]cyclooct-2-en-1-amine (CID 114227927) is (2E)-N-[2-(5-chlorothiophen-2-yl)ethyl]cyclooct-2-en-1-amine.
What is the SMILES notation for (2E)-N-[2-(5-chlorothiophen-2-yl)ethyl]cyclooct-2-en-1-amine?
The canonical SMILES for (2E)-N-[2-(5-chlorothiophen-2-yl)ethyl]cyclooct-2-en-1-amine is Clc1ccc(CCNC2/C=C\CCCCC2)s1.
What is the InChIKey of (2E)-N-[2-(5-chlorothiophen-2-yl)ethyl]cyclooct-2-en-1-amine?
The InChIKey is VQZZOXFDJJDVSW-XQRVVYSFSA-N. The full InChI is InChI=1S/C14H20ClNS/c15-14-9-8-13(17-14)10-11-16-12-6-4-2-1-3-5-7-12/h4,6,8-9,12,16H,1-3,5,7,10-11H2/b6-4-.
What are the key properties of (2E)-N-[2-(5-chlorothiophen-2-yl)ethyl]cyclooct-2-en-1-amine?
(2E)-N-[2-(5-chlorothiophen-2-yl)ethyl]cyclooct-2-en-1-amine has a molecular weight of 269.84 g/mol, XLogP of 4.42, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-[2-(5-chlorothiophen-2-yl)ethyl]cyclooct-2-en-1-amine is sourced from PubChem (CID 114227927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).