(1S)-1-cycloheptyl-N-[1-(5-methylfuran-2-yl)ethyl]ethanamine

C16H27NO — CID 81389168

IUPAC(1S)-1-cycloheptyl-N-[1-(5-methylfuran-2-yl)ethyl]ethanamine
SMILESCc1ccc(C(C)N[C@@H](C)C2CCCCCC2)o1
InChIInChI=1S/C16H27NO/c1-12-10-11-16(18-12)14(3)17-13(2)15-8-6-4-5-7-9-15/h10-11,13-15,17H,4-9H2,1-3H3/t13-,14?/m0/s1
InChIKeyLUMAUWQGPKGKDA-LSLKUGRBSA-N
MW249.40 g/mol
LogP4.60
Rot. Bonds4

About (1S)-1-cycloheptyl-N-[1-(5-methylfuran-2-yl)ethyl]ethanamine

(1S)-1-cycloheptyl-N-[1-(5-methylfuran-2-yl)ethyl]ethanamine (PubChem CID 81389168) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is (1S)-1-cycloheptyl-N-[1-(5-methylfuran-2-yl)ethyl]ethanamine.

Molecular Properties

Compound Name(1S)-1-cycloheptyl-N-[1-(5-methylfuran-2-yl)ethyl]ethanamine
PubChem CID81389168
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name(1S)-1-cycloheptyl-N-[1-(5-methylfuran-2-yl)ethyl]ethanamine
SMILESCc1ccc(C(C)N[C@@H](C)C2CCCCCC2)o1
InChIInChI=1S/C16H27NO/c1-12-10-11-16(18-12)14(3)17-13(2)15-8-6-4-5-7-9-15/h10-11,13-15,17H,4-9H2,1-3H3/t13-,14?/m0/s1
InChIKeyLUMAUWQGPKGKDA-LSLKUGRBSA-N
XLogP4.60
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(5-methylfuran-2-yl)ethyl]cyclopentanamine
CID 43177408
N-cyclohexyl-2-[1-(5-methylfuran-2-yl)ethylamino]propanamide
CID 60654151
(1S)-1-cycloheptyl-N-[1-(4-methylphenyl)ethyl]ethanamine
CID 81389876
(1S)-1-cycloheptyl-N-[1-(2-methylphenyl)ethyl]ethanamine
CID 81390722
1-cyclopropyl-N-[1-(5-methylfuran-2-yl)ethyl]butan-1-amine
CID 115769765
N-[1-(5-methylfuran-2-yl)ethyl]-3-propan-2-ylcyclohexan-1-amine
CID 107448054
1-cyclopentyl-N-[1-(4-methylphenyl)ethyl]ethanamine
CID 55097109
(1R)-1-cyclohexyl-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine
CID 81384118
(1S)-1-cyclopentyl-N-[(5-methylfuran-2-yl)methyl]ethanamine
CID 81386114
2-[1-(5-methylfuran-2-yl)ethylamino]cyclohexan-1-ol
CID 61039875
1-cyclohexyl-N-(1-cyclopentylethyl)ethanamine
CID 62633016
(1S)-1-cyclopentyl-N-[(1R)-1-phenylethyl]ethanamine
CID 67209455

Frequently Asked Questions

What is the IUPAC name of (1S)-1-cycloheptyl-N-[1-(5-methylfuran-2-yl)ethyl]ethanamine?
The IUPAC name of (1S)-1-cycloheptyl-N-[1-(5-methylfuran-2-yl)ethyl]ethanamine (CID 81389168) is (1S)-1-cycloheptyl-N-[1-(5-methylfuran-2-yl)ethyl]ethanamine.
What is the SMILES notation for (1S)-1-cycloheptyl-N-[1-(5-methylfuran-2-yl)ethyl]ethanamine?
The canonical SMILES for (1S)-1-cycloheptyl-N-[1-(5-methylfuran-2-yl)ethyl]ethanamine is Cc1ccc(C(C)N[C@@H](C)C2CCCCCC2)o1.
What is the InChIKey of (1S)-1-cycloheptyl-N-[1-(5-methylfuran-2-yl)ethyl]ethanamine?
The InChIKey is LUMAUWQGPKGKDA-LSLKUGRBSA-N. The full InChI is InChI=1S/C16H27NO/c1-12-10-11-16(18-12)14(3)17-13(2)15-8-6-4-5-7-9-15/h10-11,13-15,17H,4-9H2,1-3H3/t13-,14?/m0/s1.
What are the key properties of (1S)-1-cycloheptyl-N-[1-(5-methylfuran-2-yl)ethyl]ethanamine?
(1S)-1-cycloheptyl-N-[1-(5-methylfuran-2-yl)ethyl]ethanamine has a molecular weight of 249.40 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-cycloheptyl-N-[1-(5-methylfuran-2-yl)ethyl]ethanamine is sourced from PubChem (CID 81389168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).