N-[[2-[(5-bromo-3-pyridinyl)methyl]-4-ethylcyclohexyl]methyl]cyclopropanamine

C18H27BrN2 — CID 104813951

IUPACN-[[2-[(5-bromo-3-pyridinyl)methyl]-4-ethylcyclohexyl]methyl]cyclopropanamine
SMILESCCC1CCC(CNC2CC2)C(Cc2cncc(Br)c2)C1
InChIInChI=1S/C18H27BrN2/c1-2-13-3-4-15(11-21-18-5-6-18)16(7-13)8-14-9-17(19)12-20-10-14/h9-10,12-13,15-16,18,21H,2-8,11H2,1H3
InChIKeyZLMZWHKDUIMYPZ-UHFFFAOYSA-N
MW351.33 g/mol
LogP4.58
Rot. Bonds6

About N-[[2-[(5-bromo-3-pyridinyl)methyl]-4-ethylcyclohexyl]methyl]cyclopropanamine

N-[[2-[(5-bromo-3-pyridinyl)methyl]-4-ethylcyclohexyl]methyl]cyclopropanamine (PubChem CID 104813951) has the molecular formula C18H27BrN2 and a molecular weight of 351.33 g/mol. Its IUPAC name is N-[[2-[(5-bromo-3-pyridinyl)methyl]-4-ethylcyclohexyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-[(5-bromo-3-pyridinyl)methyl]-4-ethylcyclohexyl]methyl]cyclopropanamine
PubChem CID104813951
Molecular FormulaC18H27BrN2
Molecular Weight351.33 g/mol
Exact Mass350.14
IUPAC NameN-[[2-[(5-bromo-3-pyridinyl)methyl]-4-ethylcyclohexyl]methyl]cyclopropanamine
SMILESCCC1CCC(CNC2CC2)C(Cc2cncc(Br)c2)C1
InChIInChI=1S/C18H27BrN2/c1-2-13-3-4-15(11-21-18-5-6-18)16(7-13)8-14-9-17(19)12-20-10-14/h9-10,12-13,15-16,18,21H,2-8,11H2,1H3
InChIKeyZLMZWHKDUIMYPZ-UHFFFAOYSA-N
XLogP4.58
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.33
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-[(5-bromo-3-pyridinyl)methyl]-4-ethylcyclohexyl]methyl]propan-2-amine
CID 104813948
N-[(2-benzyl-4-ethylcyclohexyl)methyl]cyclopropanamine
CID 81030099
3-[(5-bromo-3-pyridinyl)methyl]-N-ethylcyclopentan-1-amine
CID 104811972
N-[[2-[(5-bromo-3-pyridinyl)methyl]-4-methylcyclohexyl]methyl]propan-1-amine
CID 104813926
N-[[2-[(3-bromothiophen-2-yl)methyl]-4-ethylcyclohexyl]methyl]cyclopropanamine
CID 81028987
1-[4-ethyl-2-(pyridin-3-ylmethyl)cyclohexyl]-N-methylmethanamine
CID 113447096
N-[[1-[(5-bromo-3-pyridinyl)methyl]piperidin-4-yl]methyl]cyclopropanamine
CID 104798204
1-[4-ethyl-2-(pyridin-4-ylmethyl)cyclohexyl]-N-methylmethanamine
CID 81031325
N-[(4-ethyl-2-pyrazin-2-ylcyclohexyl)methyl]cyclopropanamine
CID 81030101
[2-(5-bromo-3-pyridinyl)-1-(3-ethylcyclopentyl)ethyl]hydrazine
CID 105233400
N-[[2-[(3-bromo-5-fluorophenyl)methyl]cyclobutyl]methyl]cyclopropanamine
CID 81017852
N-[[2-[(5-bromothiophen-2-yl)methyl]-4-propylcyclohexyl]methyl]cyclopropanamine
CID 81026091

Frequently Asked Questions

What is the IUPAC name of N-[[2-[(5-bromo-3-pyridinyl)methyl]-4-ethylcyclohexyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-[(5-bromo-3-pyridinyl)methyl]-4-ethylcyclohexyl]methyl]cyclopropanamine (CID 104813951) is N-[[2-[(5-bromo-3-pyridinyl)methyl]-4-ethylcyclohexyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-[(5-bromo-3-pyridinyl)methyl]-4-ethylcyclohexyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-[(5-bromo-3-pyridinyl)methyl]-4-ethylcyclohexyl]methyl]cyclopropanamine is CCC1CCC(CNC2CC2)C(Cc2cncc(Br)c2)C1.
What is the InChIKey of N-[[2-[(5-bromo-3-pyridinyl)methyl]-4-ethylcyclohexyl]methyl]cyclopropanamine?
The InChIKey is ZLMZWHKDUIMYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27BrN2/c1-2-13-3-4-15(11-21-18-5-6-18)16(7-13)8-14-9-17(19)12-20-10-14/h9-10,12-13,15-16,18,21H,2-8,11H2,1H3.
What are the key properties of N-[[2-[(5-bromo-3-pyridinyl)methyl]-4-ethylcyclohexyl]methyl]cyclopropanamine?
N-[[2-[(5-bromo-3-pyridinyl)methyl]-4-ethylcyclohexyl]methyl]cyclopropanamine has a molecular weight of 351.33 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(5-bromo-3-pyridinyl)methyl]-4-ethylcyclohexyl]methyl]cyclopropanamine is sourced from PubChem (CID 104813951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).