1-[amino(thiophen-2-yl)methyl]-N,N,3-trimethylcyclohexan-1-amine

C14H24N2S — CID 79074325

IUPAC1-[amino(thiophen-2-yl)methyl]-N,N,3-trimethylcyclohexan-1-amine
SMILESCC1CCCC(C(N)c2cccs2)(N(C)C)C1
InChIInChI=1S/C14H24N2S/c1-11-6-4-8-14(10-11,16(2)3)13(15)12-7-5-9-17-12/h5,7,9,11,13H,4,6,8,10,15H2,1-3H3
InChIKeyZEYNVICTPHZPAH-UHFFFAOYSA-N
MW252.43 g/mol
LogP3.26
Rot. Bonds3

About 1-[amino(thiophen-2-yl)methyl]-N,N,3-trimethylcyclohexan-1-amine

1-[amino(thiophen-2-yl)methyl]-N,N,3-trimethylcyclohexan-1-amine (PubChem CID 79074325) has the molecular formula C14H24N2S and a molecular weight of 252.43 g/mol. Its IUPAC name is 1-[amino(thiophen-2-yl)methyl]-N,N,3-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[amino(thiophen-2-yl)methyl]-N,N,3-trimethylcyclohexan-1-amine
PubChem CID79074325
Molecular FormulaC14H24N2S
Molecular Weight252.43 g/mol
Exact Mass252.17
IUPAC Name1-[amino(thiophen-2-yl)methyl]-N,N,3-trimethylcyclohexan-1-amine
SMILESCC1CCCC(C(N)c2cccs2)(N(C)C)C1
InChIInChI=1S/C14H24N2S/c1-11-6-4-8-14(10-11,16(2)3)13(15)12-7-5-9-17-12/h5,7,9,11,13H,4,6,8,10,15H2,1-3H3
InChIKeyZEYNVICTPHZPAH-UHFFFAOYSA-N
XLogP3.26
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.43
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[amino(thiophen-2-yl)methyl]-N,N,3-trimethylcyclohexan-1-amine?
The IUPAC name of 1-[amino(thiophen-2-yl)methyl]-N,N,3-trimethylcyclohexan-1-amine (CID 79074325) is 1-[amino(thiophen-2-yl)methyl]-N,N,3-trimethylcyclohexan-1-amine.
What is the SMILES notation for 1-[amino(thiophen-2-yl)methyl]-N,N,3-trimethylcyclohexan-1-amine?
The canonical SMILES for 1-[amino(thiophen-2-yl)methyl]-N,N,3-trimethylcyclohexan-1-amine is CC1CCCC(C(N)c2cccs2)(N(C)C)C1.
What is the InChIKey of 1-[amino(thiophen-2-yl)methyl]-N,N,3-trimethylcyclohexan-1-amine?
The InChIKey is ZEYNVICTPHZPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2S/c1-11-6-4-8-14(10-11,16(2)3)13(15)12-7-5-9-17-12/h5,7,9,11,13H,4,6,8,10,15H2,1-3H3.
What are the key properties of 1-[amino(thiophen-2-yl)methyl]-N,N,3-trimethylcyclohexan-1-amine?
1-[amino(thiophen-2-yl)methyl]-N,N,3-trimethylcyclohexan-1-amine has a molecular weight of 252.43 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino(thiophen-2-yl)methyl]-N,N,3-trimethylcyclohexan-1-amine is sourced from PubChem (CID 79074325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).