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

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

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Related Compounds

N-[[2-(3-bromofuran-2-yl)-1-methylpiperidin-3-yl]methyl]propan-2-amine
CID 106889408
N-[[2-(3-bromofuran-2-yl)-4-propylcyclohexyl]methyl]ethanamine
CID 81029161
N-[[2-(3-bromofuran-2-yl)cyclopropyl]methyl]-2-methylpropan-1-amine
CID 106889346
N-[[2-(3-bromofuran-2-yl)-4-methylcyclohexyl]methyl]cyclopropanamine
CID 81032438
N-[[2-(3-bromofuran-2-yl)cyclopentyl]methyl]ethanamine
CID 81032684
N-[[4-tert-butyl-2-(furan-3-yl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 81023230
N-[[2-(3-bromofuran-2-yl)cyclopentyl]methyl]propan-1-amine
CID 81033199
1-[4-tert-butyl-2-(furan-3-yl)cyclohexyl]-N-methylmethanamine
CID 81030983
N-[[2-(furan-3-yl)-4-propylcyclohexyl]methyl]propan-2-amine
CID 81029613
N-[[2-(4-tert-butylcyclohexyl)cyclopropyl]methyl]propan-2-amine
CID 104575931
1-[4-tert-butyl-2-(4-ethylphenyl)cyclohexyl]-N-methylmethanamine
CID 81025663
N-[[4-tert-butyl-2-(2-methylbutyl)cyclohexyl]methyl]propan-2-amine
CID 81030393

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).