N-[(5-bromothiophen-3-yl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine

C15H24BrNS — CID 43435692

IUPACN-[(5-bromothiophen-3-yl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine
SMILESCC1CCC(C(C)C)C(NCc2csc(Br)c2)C1
InChIInChI=1S/C15H24BrNS/c1-10(2)13-5-4-11(3)6-14(13)17-8-12-7-15(16)18-9-12/h7,9-11,13-14,17H,4-6,8H2,1-3H3
InChIKeyNIMIPUHUJXLQDH-UHFFFAOYSA-N
MW330.34 g/mol
LogP5.06
Rot. Bonds4

About N-[(5-bromothiophen-3-yl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine

N-[(5-bromothiophen-3-yl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine (PubChem CID 43435692) has the molecular formula C15H24BrNS and a molecular weight of 330.34 g/mol. Its IUPAC name is N-[(5-bromothiophen-3-yl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[(5-bromothiophen-3-yl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine
PubChem CID43435692
Molecular FormulaC15H24BrNS
Molecular Weight330.34 g/mol
Exact Mass329.08
IUPAC NameN-[(5-bromothiophen-3-yl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine
SMILESCC1CCC(C(C)C)C(NCc2csc(Br)c2)C1
InChIInChI=1S/C15H24BrNS/c1-10(2)13-5-4-11(3)6-14(13)17-8-12-7-15(16)18-9-12/h7,9-11,13-14,17H,4-6,8H2,1-3H3
InChIKeyNIMIPUHUJXLQDH-UHFFFAOYSA-N
XLogP5.06
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500330.34
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine?
The IUPAC name of N-[(5-bromothiophen-3-yl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine (CID 43435692) is N-[(5-bromothiophen-3-yl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine.
What is the SMILES notation for N-[(5-bromothiophen-3-yl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine?
The canonical SMILES for N-[(5-bromothiophen-3-yl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine is CC1CCC(C(C)C)C(NCc2csc(Br)c2)C1.
What is the InChIKey of N-[(5-bromothiophen-3-yl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine?
The InChIKey is NIMIPUHUJXLQDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNS/c1-10(2)13-5-4-11(3)6-14(13)17-8-12-7-15(16)18-9-12/h7,9-11,13-14,17H,4-6,8H2,1-3H3.
What are the key properties of N-[(5-bromothiophen-3-yl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine?
N-[(5-bromothiophen-3-yl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine has a molecular weight of 330.34 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-3-yl)methyl]-5-methyl-2-propan-2-ylcyclohexan-1-amine is sourced from PubChem (CID 43435692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).