1-(aminomethyl)-N-[(5-bromothiophen-3-yl)methyl]-N-methyl-4-propylcyclohexan-1-amine

C16H27BrN2S — CID 63473105

IUPAC1-(aminomethyl)-N-[(5-bromothiophen-3-yl)methyl]-N-methyl-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(CN)(N(C)Cc2csc(Br)c2)CC1
InChIInChI=1S/C16H27BrN2S/c1-3-4-13-5-7-16(12-18,8-6-13)19(2)10-14-9-15(17)20-11-14/h9,11,13H,3-8,10,12,18H2,1-2H3
InChIKeyBMQYTTBRSBWKMU-UHFFFAOYSA-N
MW359.38 g/mol
LogP4.63
Rot. Bonds6

About 1-(aminomethyl)-N-[(5-bromothiophen-3-yl)methyl]-N-methyl-4-propylcyclohexan-1-amine

1-(aminomethyl)-N-[(5-bromothiophen-3-yl)methyl]-N-methyl-4-propylcyclohexan-1-amine (PubChem CID 63473105) has the molecular formula C16H27BrN2S and a molecular weight of 359.38 g/mol. Its IUPAC name is 1-(aminomethyl)-N-[(5-bromothiophen-3-yl)methyl]-N-methyl-4-propylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-[(5-bromothiophen-3-yl)methyl]-N-methyl-4-propylcyclohexan-1-amine
PubChem CID63473105
Molecular FormulaC16H27BrN2S
Molecular Weight359.38 g/mol
Exact Mass358.11
IUPAC Name1-(aminomethyl)-N-[(5-bromothiophen-3-yl)methyl]-N-methyl-4-propylcyclohexan-1-amine
SMILESCCCC1CCC(CN)(N(C)Cc2csc(Br)c2)CC1
InChIInChI=1S/C16H27BrN2S/c1-3-4-13-5-7-16(12-18,8-6-13)19(2)10-14-9-15(17)20-11-14/h9,11,13H,3-8,10,12,18H2,1-2H3
InChIKeyBMQYTTBRSBWKMU-UHFFFAOYSA-N
XLogP4.63
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.38
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-[(5-bromothiophen-3-yl)methyl]-N-methyl-4-propylcyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-[(5-bromothiophen-3-yl)methyl]-N-methyl-4-propylcyclohexan-1-amine (CID 63473105) is 1-(aminomethyl)-N-[(5-bromothiophen-3-yl)methyl]-N-methyl-4-propylcyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-[(5-bromothiophen-3-yl)methyl]-N-methyl-4-propylcyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-[(5-bromothiophen-3-yl)methyl]-N-methyl-4-propylcyclohexan-1-amine is CCCC1CCC(CN)(N(C)Cc2csc(Br)c2)CC1.
What is the InChIKey of 1-(aminomethyl)-N-[(5-bromothiophen-3-yl)methyl]-N-methyl-4-propylcyclohexan-1-amine?
The InChIKey is BMQYTTBRSBWKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27BrN2S/c1-3-4-13-5-7-16(12-18,8-6-13)19(2)10-14-9-15(17)20-11-14/h9,11,13H,3-8,10,12,18H2,1-2H3.
What are the key properties of 1-(aminomethyl)-N-[(5-bromothiophen-3-yl)methyl]-N-methyl-4-propylcyclohexan-1-amine?
1-(aminomethyl)-N-[(5-bromothiophen-3-yl)methyl]-N-methyl-4-propylcyclohexan-1-amine has a molecular weight of 359.38 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-[(5-bromothiophen-3-yl)methyl]-N-methyl-4-propylcyclohexan-1-amine is sourced from PubChem (CID 63473105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).