(1R)-N-[(4-methoxythiophen-2-yl)methyl]-2,4,4-trimethylcyclohexan-1-amine

C15H25NOS — CID 144611671

IUPAC(1R)-N-[(4-methoxythiophen-2-yl)methyl]-2,4,4-trimethylcyclohexan-1-amine
SMILESCOc1csc(CN[C@@H]2CCC(C)(C)CC2C)c1
InChIInChI=1S/C15H25NOS/c1-11-8-15(2,3)6-5-14(11)16-9-13-7-12(17-4)10-18-13/h7,10-11,14,16H,5-6,8-9H2,1-4H3/t11?,14-/m1/s1
InChIKeyHGVZVXIMJDNPCT-SBXXRYSUSA-N
MW267.44 g/mol
LogP4.06
Rot. Bonds4

About (1R)-N-[(4-methoxythiophen-2-yl)methyl]-2,4,4-trimethylcyclohexan-1-amine

(1R)-N-[(4-methoxythiophen-2-yl)methyl]-2,4,4-trimethylcyclohexan-1-amine (PubChem CID 144611671) has the molecular formula C15H25NOS and a molecular weight of 267.44 g/mol. Its IUPAC name is (1R)-N-[(4-methoxythiophen-2-yl)methyl]-2,4,4-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name(1R)-N-[(4-methoxythiophen-2-yl)methyl]-2,4,4-trimethylcyclohexan-1-amine
PubChem CID144611671
Molecular FormulaC15H25NOS
Molecular Weight267.44 g/mol
Exact Mass267.17
IUPAC Name(1R)-N-[(4-methoxythiophen-2-yl)methyl]-2,4,4-trimethylcyclohexan-1-amine
SMILESCOc1csc(CN[C@@H]2CCC(C)(C)CC2C)c1
InChIInChI=1S/C15H25NOS/c1-11-8-15(2,3)6-5-14(11)16-9-13-7-12(17-4)10-18-13/h7,10-11,14,16H,5-6,8-9H2,1-4H3/t11?,14-/m1/s1
InChIKeyHGVZVXIMJDNPCT-SBXXRYSUSA-N
XLogP4.06
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-N-[(4-methoxythiophen-2-yl)methyl]-2,4,4-trimethylcyclohexan-1-amine?
The IUPAC name of (1R)-N-[(4-methoxythiophen-2-yl)methyl]-2,4,4-trimethylcyclohexan-1-amine (CID 144611671) is (1R)-N-[(4-methoxythiophen-2-yl)methyl]-2,4,4-trimethylcyclohexan-1-amine.
What is the SMILES notation for (1R)-N-[(4-methoxythiophen-2-yl)methyl]-2,4,4-trimethylcyclohexan-1-amine?
The canonical SMILES for (1R)-N-[(4-methoxythiophen-2-yl)methyl]-2,4,4-trimethylcyclohexan-1-amine is COc1csc(CN[C@@H]2CCC(C)(C)CC2C)c1.
What is the InChIKey of (1R)-N-[(4-methoxythiophen-2-yl)methyl]-2,4,4-trimethylcyclohexan-1-amine?
The InChIKey is HGVZVXIMJDNPCT-SBXXRYSUSA-N. The full InChI is InChI=1S/C15H25NOS/c1-11-8-15(2,3)6-5-14(11)16-9-13-7-12(17-4)10-18-13/h7,10-11,14,16H,5-6,8-9H2,1-4H3/t11?,14-/m1/s1.
What are the key properties of (1R)-N-[(4-methoxythiophen-2-yl)methyl]-2,4,4-trimethylcyclohexan-1-amine?
(1R)-N-[(4-methoxythiophen-2-yl)methyl]-2,4,4-trimethylcyclohexan-1-amine has a molecular weight of 267.44 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-[(4-methoxythiophen-2-yl)methyl]-2,4,4-trimethylcyclohexan-1-amine is sourced from PubChem (CID 144611671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).