1-[1-amino-2-(5-chlorothiophen-2-yl)ethyl]-N,N,3-trimethylcyclohexan-1-amine

C15H25ClN2S — CID 79074614

IUPAC1-[1-amino-2-(5-chlorothiophen-2-yl)ethyl]-N,N,3-trimethylcyclohexan-1-amine
SMILESCC1CCCC(C(N)Cc2ccc(Cl)s2)(N(C)C)C1
InChIInChI=1S/C15H25ClN2S/c1-11-5-4-8-15(10-11,18(2)3)13(17)9-12-6-7-14(16)19-12/h6-7,11,13H,4-5,8-10,17H2,1-3H3
InChIKeyXVFMZPQEJFSQIE-UHFFFAOYSA-N
MW300.90 g/mol
LogP3.78
Rot. Bonds4

About 1-[1-amino-2-(5-chlorothiophen-2-yl)ethyl]-N,N,3-trimethylcyclohexan-1-amine

1-[1-amino-2-(5-chlorothiophen-2-yl)ethyl]-N,N,3-trimethylcyclohexan-1-amine (PubChem CID 79074614) has the molecular formula C15H25ClN2S and a molecular weight of 300.90 g/mol. Its IUPAC name is 1-[1-amino-2-(5-chlorothiophen-2-yl)ethyl]-N,N,3-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[1-amino-2-(5-chlorothiophen-2-yl)ethyl]-N,N,3-trimethylcyclohexan-1-amine
PubChem CID79074614
Molecular FormulaC15H25ClN2S
Molecular Weight300.90 g/mol
Exact Mass300.14
IUPAC Name1-[1-amino-2-(5-chlorothiophen-2-yl)ethyl]-N,N,3-trimethylcyclohexan-1-amine
SMILESCC1CCCC(C(N)Cc2ccc(Cl)s2)(N(C)C)C1
InChIInChI=1S/C15H25ClN2S/c1-11-5-4-8-15(10-11,18(2)3)13(17)9-12-6-7-14(16)19-12/h6-7,11,13H,4-5,8-10,17H2,1-3H3
InChIKeyXVFMZPQEJFSQIE-UHFFFAOYSA-N
XLogP3.78
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.90
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-amino-2-(5-chlorothiophen-2-yl)ethyl]-N,N,3-trimethylcyclohexan-1-amine?
The IUPAC name of 1-[1-amino-2-(5-chlorothiophen-2-yl)ethyl]-N,N,3-trimethylcyclohexan-1-amine (CID 79074614) is 1-[1-amino-2-(5-chlorothiophen-2-yl)ethyl]-N,N,3-trimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[1-amino-2-(5-chlorothiophen-2-yl)ethyl]-N,N,3-trimethylcyclohexan-1-amine?
The canonical SMILES for 1-[1-amino-2-(5-chlorothiophen-2-yl)ethyl]-N,N,3-trimethylcyclohexan-1-amine is CC1CCCC(C(N)Cc2ccc(Cl)s2)(N(C)C)C1.
What is the InChIKey of 1-[1-amino-2-(5-chlorothiophen-2-yl)ethyl]-N,N,3-trimethylcyclohexan-1-amine?
The InChIKey is XVFMZPQEJFSQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25ClN2S/c1-11-5-4-8-15(10-11,18(2)3)13(17)9-12-6-7-14(16)19-12/h6-7,11,13H,4-5,8-10,17H2,1-3H3.
What are the key properties of 1-[1-amino-2-(5-chlorothiophen-2-yl)ethyl]-N,N,3-trimethylcyclohexan-1-amine?
1-[1-amino-2-(5-chlorothiophen-2-yl)ethyl]-N,N,3-trimethylcyclohexan-1-amine has a molecular weight of 300.90 g/mol, XLogP of 3.78, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-amino-2-(5-chlorothiophen-2-yl)ethyl]-N,N,3-trimethylcyclohexan-1-amine is sourced from PubChem (CID 79074614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).