N-[[2-(3-bromofuran-2-yl)-4-tert-butylcyclohexyl]methyl]propan-2-amine

C18H30BrNO — CID 81022007

IUPACN-[[2-(3-bromofuran-2-yl)-4-tert-butylcyclohexyl]methyl]propan-2-amine
SMILESCC(C)NCC1CCC(C(C)(C)C)CC1c1occc1Br
InChIInChI=1S/C18H30BrNO/c1-12(2)20-11-13-6-7-14(18(3,4)5)10-15(13)17-16(19)8-9-21-17/h8-9,12-15,20H,6-7,10-11H2,1-5H3
InChIKeyMAAMUQLABWEEHI-UHFFFAOYSA-N
MW356.35 g/mol
LogP5.59
Rot. Bonds4

About N-[[2-(3-bromofuran-2-yl)-4-tert-butylcyclohexyl]methyl]propan-2-amine

N-[[2-(3-bromofuran-2-yl)-4-tert-butylcyclohexyl]methyl]propan-2-amine (PubChem CID 81022007) has the molecular formula C18H30BrNO and a molecular weight of 356.35 g/mol. Its IUPAC name is N-[[2-(3-bromofuran-2-yl)-4-tert-butylcyclohexyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-(3-bromofuran-2-yl)-4-tert-butylcyclohexyl]methyl]propan-2-amine
PubChem CID81022007
Molecular FormulaC18H30BrNO
Molecular Weight356.35 g/mol
Exact Mass355.15
IUPAC NameN-[[2-(3-bromofuran-2-yl)-4-tert-butylcyclohexyl]methyl]propan-2-amine
SMILESCC(C)NCC1CCC(C(C)(C)C)CC1c1occc1Br
InChIInChI=1S/C18H30BrNO/c1-12(2)20-11-13-6-7-14(18(3,4)5)10-15(13)17-16(19)8-9-21-17/h8-9,12-15,20H,6-7,10-11H2,1-5H3
InChIKeyMAAMUQLABWEEHI-UHFFFAOYSA-N
XLogP5.59
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.35
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-bromofuran-2-yl)-4-tert-butylcyclohexyl]methyl]propan-2-amine?
The IUPAC name of N-[[2-(3-bromofuran-2-yl)-4-tert-butylcyclohexyl]methyl]propan-2-amine (CID 81022007) is N-[[2-(3-bromofuran-2-yl)-4-tert-butylcyclohexyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-(3-bromofuran-2-yl)-4-tert-butylcyclohexyl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-(3-bromofuran-2-yl)-4-tert-butylcyclohexyl]methyl]propan-2-amine is CC(C)NCC1CCC(C(C)(C)C)CC1c1occc1Br.
What is the InChIKey of N-[[2-(3-bromofuran-2-yl)-4-tert-butylcyclohexyl]methyl]propan-2-amine?
The InChIKey is MAAMUQLABWEEHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30BrNO/c1-12(2)20-11-13-6-7-14(18(3,4)5)10-15(13)17-16(19)8-9-21-17/h8-9,12-15,20H,6-7,10-11H2,1-5H3.
What are the key properties of N-[[2-(3-bromofuran-2-yl)-4-tert-butylcyclohexyl]methyl]propan-2-amine?
N-[[2-(3-bromofuran-2-yl)-4-tert-butylcyclohexyl]methyl]propan-2-amine has a molecular weight of 356.35 g/mol, XLogP of 5.59, 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-tert-butylcyclohexyl]methyl]propan-2-amine is sourced from PubChem (CID 81022007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).