N-[[2-[(5-bromothiophen-2-yl)methyl]-4-propylcyclohexyl]methyl]cyclopropanamine

C18H28BrNS — CID 81026091

IUPACN-[[2-[(5-bromothiophen-2-yl)methyl]-4-propylcyclohexyl]methyl]cyclopropanamine
SMILESCCCC1CCC(CNC2CC2)C(Cc2ccc(Br)s2)C1
InChIInChI=1S/C18H28BrNS/c1-2-3-13-4-5-14(12-20-16-6-7-16)15(10-13)11-17-8-9-18(19)21-17/h8-9,13-16,20H,2-7,10-12H2,1H3
InChIKeyNZGILJXXFNKBLD-UHFFFAOYSA-N
MW370.40 g/mol
LogP5.64
Rot. Bonds7

About N-[[2-[(5-bromothiophen-2-yl)methyl]-4-propylcyclohexyl]methyl]cyclopropanamine

N-[[2-[(5-bromothiophen-2-yl)methyl]-4-propylcyclohexyl]methyl]cyclopropanamine (PubChem CID 81026091) has the molecular formula C18H28BrNS and a molecular weight of 370.40 g/mol. Its IUPAC name is N-[[2-[(5-bromothiophen-2-yl)methyl]-4-propylcyclohexyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-[(5-bromothiophen-2-yl)methyl]-4-propylcyclohexyl]methyl]cyclopropanamine
PubChem CID81026091
Molecular FormulaC18H28BrNS
Molecular Weight370.40 g/mol
Exact Mass369.11
IUPAC NameN-[[2-[(5-bromothiophen-2-yl)methyl]-4-propylcyclohexyl]methyl]cyclopropanamine
SMILESCCCC1CCC(CNC2CC2)C(Cc2ccc(Br)s2)C1
InChIInChI=1S/C18H28BrNS/c1-2-3-13-4-5-14(12-20-16-6-7-16)15(10-13)11-17-8-9-18(19)21-17/h8-9,13-16,20H,2-7,10-12H2,1H3
InChIKeyNZGILJXXFNKBLD-UHFFFAOYSA-N
XLogP5.64
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.40
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-[(5-bromothiophen-2-yl)methyl]cycloheptyl]methyl]cyclopropanamine
CID 81025222
2-[(5-bromothiophen-2-yl)methyl]-4-propylcyclohexan-1-ol
CID 63461626
N-[[2-[(5-ethylthiophen-2-yl)methyl]-4-propylcyclohexyl]methyl]ethanamine
CID 81034508
N-[[2-[(5-ethylthiophen-2-yl)methyl]-4-methylcyclohexyl]methyl]cyclopropanamine
CID 81031611
N-[(5-bromothiophen-2-yl)methyl]-4-propylcycloheptan-1-amine
CID 65091163
N-[[2-[(5-bromothiophen-2-yl)methyl]-4-methylcyclohexyl]methyl]propan-2-amine
CID 81031821
N-[[2-[(3-bromothiophen-2-yl)methyl]-4-ethylcyclohexyl]methyl]cyclopropanamine
CID 81028987
N-[[2-(2-methylthiophen-3-yl)-4-propylcyclohexyl]methyl]cyclopropanamine
CID 102839076
N-[(5-bromothiophen-2-yl)methyl]-4-ethylcyclohexan-1-amine
CID 63452327
N-[[2-[(5-bromothiophen-2-yl)methyl]cyclobutyl]methyl]-2-methylpropan-2-amine
CID 81022120
N-[[2-[(2-methyltetrazol-5-yl)methyl]-4-propylcyclohexyl]methyl]cyclopropanamine
CID 107059327
N-[(5-bromothiophen-2-yl)methyl]-3-ethylcyclopentan-1-amine
CID 64501545

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(5-bromothiophen-2-yl)methyl]-4-propylcyclohexyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-[(5-bromothiophen-2-yl)methyl]-4-propylcyclohexyl]methyl]cyclopropanamine (CID 81026091) is N-[[2-[(5-bromothiophen-2-yl)methyl]-4-propylcyclohexyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-[(5-bromothiophen-2-yl)methyl]-4-propylcyclohexyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-[(5-bromothiophen-2-yl)methyl]-4-propylcyclohexyl]methyl]cyclopropanamine is CCCC1CCC(CNC2CC2)C(Cc2ccc(Br)s2)C1.
What is the InChIKey of N-[[2-[(5-bromothiophen-2-yl)methyl]-4-propylcyclohexyl]methyl]cyclopropanamine?
The InChIKey is NZGILJXXFNKBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28BrNS/c1-2-3-13-4-5-14(12-20-16-6-7-16)15(10-13)11-17-8-9-18(19)21-17/h8-9,13-16,20H,2-7,10-12H2,1H3.
What are the key properties of N-[[2-[(5-bromothiophen-2-yl)methyl]-4-propylcyclohexyl]methyl]cyclopropanamine?
N-[[2-[(5-bromothiophen-2-yl)methyl]-4-propylcyclohexyl]methyl]cyclopropanamine has a molecular weight of 370.40 g/mol, XLogP of 5.64, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(5-bromothiophen-2-yl)methyl]-4-propylcyclohexyl]methyl]cyclopropanamine is sourced from PubChem (CID 81026091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).