N-[[2-(3-bromofuran-2-yl)-4-methylcyclohexyl]methyl]cyclopropanamine

C15H22BrNO — CID 81032438

IUPACN-[[2-(3-bromofuran-2-yl)-4-methylcyclohexyl]methyl]cyclopropanamine
SMILESCC1CCC(CNC2CC2)C(c2occc2Br)C1
InChIInChI=1S/C15H22BrNO/c1-10-2-3-11(9-17-12-4-5-12)13(8-10)15-14(16)6-7-18-15/h6-7,10-13,17H,2-5,8-9H2,1H3
InChIKeyQCLWBFACAXWNJS-UHFFFAOYSA-N
MW312.25 g/mol
LogP4.31
Rot. Bonds4

About N-[[2-(3-bromofuran-2-yl)-4-methylcyclohexyl]methyl]cyclopropanamine

N-[[2-(3-bromofuran-2-yl)-4-methylcyclohexyl]methyl]cyclopropanamine (PubChem CID 81032438) has the molecular formula C15H22BrNO and a molecular weight of 312.25 g/mol. Its IUPAC name is N-[[2-(3-bromofuran-2-yl)-4-methylcyclohexyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[2-(3-bromofuran-2-yl)-4-methylcyclohexyl]methyl]cyclopropanamine
PubChem CID81032438
Molecular FormulaC15H22BrNO
Molecular Weight312.25 g/mol
Exact Mass311.09
IUPAC NameN-[[2-(3-bromofuran-2-yl)-4-methylcyclohexyl]methyl]cyclopropanamine
SMILESCC1CCC(CNC2CC2)C(c2occc2Br)C1
InChIInChI=1S/C15H22BrNO/c1-10-2-3-11(9-17-12-4-5-12)13(8-10)15-14(16)6-7-18-15/h6-7,10-13,17H,2-5,8-9H2,1H3
InChIKeyQCLWBFACAXWNJS-UHFFFAOYSA-N
XLogP4.31
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(furan-3-yl)-4-methylcyclohexyl]methyl]cyclopropanamine
CID 81031757
N-[[2-(3-bromofuran-2-yl)-4-propylcyclohexyl]methyl]ethanamine
CID 81029161
N-[[2-(2-ethoxyphenyl)-4-methylcyclohexyl]methyl]cyclopropanamine
CID 81034431
N-[[2-(3-bromofuran-2-yl)cyclopentyl]methyl]propan-1-amine
CID 81033199
N-[[2-(3-bromofuran-2-yl)-4-tert-butylcyclohexyl]methyl]propan-2-amine
CID 81022007
N-[[2-(3-bromofuran-2-yl)cyclopropyl]methyl]-2-methylpropan-1-amine
CID 106889346
N-[[2-(3-bromofuran-2-yl)cyclopentyl]methyl]ethanamine
CID 81032684
N-[(2-tert-butyl-4-methylcyclohexyl)methyl]cyclopropanamine
CID 81031457
N-[[2-(2,3-dihydro-1-benzofuran-7-yl)-4-methylcyclohexyl]methyl]cyclopropanamine
CID 114747647
N-[[4-methyl-2-(3-propyltriazol-4-yl)cyclohexyl]methyl]cyclopropanamine
CID 114691580
N-[[2-[(5-ethylthiophen-2-yl)methyl]-4-methylcyclohexyl]methyl]cyclopropanamine
CID 81031611
2-(3-bromofuran-2-yl)-N-ethylcycloheptan-1-amine
CID 63942073

Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-bromofuran-2-yl)-4-methylcyclohexyl]methyl]cyclopropanamine?
The IUPAC name of N-[[2-(3-bromofuran-2-yl)-4-methylcyclohexyl]methyl]cyclopropanamine (CID 81032438) is N-[[2-(3-bromofuran-2-yl)-4-methylcyclohexyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[2-(3-bromofuran-2-yl)-4-methylcyclohexyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[2-(3-bromofuran-2-yl)-4-methylcyclohexyl]methyl]cyclopropanamine is CC1CCC(CNC2CC2)C(c2occc2Br)C1.
What is the InChIKey of N-[[2-(3-bromofuran-2-yl)-4-methylcyclohexyl]methyl]cyclopropanamine?
The InChIKey is QCLWBFACAXWNJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BrNO/c1-10-2-3-11(9-17-12-4-5-12)13(8-10)15-14(16)6-7-18-15/h6-7,10-13,17H,2-5,8-9H2,1H3.
What are the key properties of N-[[2-(3-bromofuran-2-yl)-4-methylcyclohexyl]methyl]cyclopropanamine?
N-[[2-(3-bromofuran-2-yl)-4-methylcyclohexyl]methyl]cyclopropanamine has a molecular weight of 312.25 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-bromofuran-2-yl)-4-methylcyclohexyl]methyl]cyclopropanamine is sourced from PubChem (CID 81032438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).