(1S)-N-[1-(1-adamantyl)ethyl]-1-(furan-2-yl)ethanamine

C18H27NO — CID 81391467

IUPAC(1S)-N-[1-(1-adamantyl)ethyl]-1-(furan-2-yl)ethanamine
SMILESCC(N[C@@H](C)c1ccco1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H27NO/c1-12(17-4-3-5-20-17)19-13(2)18-9-14-6-15(10-18)8-16(7-14)11-18/h3-5,12-16,19H,6-11H2,1-2H3/t12-,13?,14?,15?,16?,18?/m0/s1
InChIKeyCRZZMGUYBXLLHH-UCRBLCQZSA-N
MW273.42 g/mol
LogP4.54
Rot. Bonds4

About (1S)-N-[1-(1-adamantyl)ethyl]-1-(furan-2-yl)ethanamine

(1S)-N-[1-(1-adamantyl)ethyl]-1-(furan-2-yl)ethanamine (PubChem CID 81391467) has the molecular formula C18H27NO and a molecular weight of 273.42 g/mol. Its IUPAC name is (1S)-N-[1-(1-adamantyl)ethyl]-1-(furan-2-yl)ethanamine.

Molecular Properties

Compound Name(1S)-N-[1-(1-adamantyl)ethyl]-1-(furan-2-yl)ethanamine
PubChem CID81391467
Molecular FormulaC18H27NO
Molecular Weight273.42 g/mol
Exact Mass273.21
IUPAC Name(1S)-N-[1-(1-adamantyl)ethyl]-1-(furan-2-yl)ethanamine
SMILESCC(N[C@@H](C)c1ccco1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H27NO/c1-12(17-4-3-5-20-17)19-13(2)18-9-14-6-15(10-18)8-16(7-14)11-18/h3-5,12-16,19H,6-11H2,1-2H3/t12-,13?,14?,15?,16?,18?/m0/s1
InChIKeyCRZZMGUYBXLLHH-UCRBLCQZSA-N
XLogP4.54
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[[(1R)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl]-[(S)-furan-2-yl(phenyl)methyl]azanium
CID 8755061
[2-[[(1S)-1-(1-adamantyl)ethyl]amino]-2-oxoethyl]-[(R)-furan-2-yl(phenyl)methyl]azanium
CID 8755063
(2S)-N-(1-adamantyl)-2-[[(R)-furan-2-yl(phenyl)methyl]amino]propanamide
CID 8755398
N-[1-(furan-2-yl)ethyl]-3,3-dimethylbutan-2-amine
CID 115719150
1,1-difluoro-N-[(1R)-1-(furan-2-yl)ethyl]propan-2-amine
CID 102869882
(1R)-N-[1-(furan-2-yl)ethyl]-1-phenylethanamine
CID 81351264
N-[1-(furan-2-yl)ethyl]-1-phenylethanamine
CID 43177136
N-[1-(1-adamantyl)ethyl]-1-(4-methyl-1,3-thiazol-5-yl)ethanamine
CID 43757558
N-[1-(1-adamantyl)ethyl]-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 43670008
N-[1-(furan-2-yl)ethyl]-2,2-dimethylthietan-3-amine
CID 130617925
1-cyclopropyl-N-[(1S)-1-(furan-2-yl)ethyl]propan-1-amine
CID 81403177
N-[3-[[(1S)-1-(1-adamantyl)ethyl]amino]-3-oxopropyl]furan-2-carboxamide
CID 7689128

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[1-(1-adamantyl)ethyl]-1-(furan-2-yl)ethanamine?
The IUPAC name of (1S)-N-[1-(1-adamantyl)ethyl]-1-(furan-2-yl)ethanamine (CID 81391467) is (1S)-N-[1-(1-adamantyl)ethyl]-1-(furan-2-yl)ethanamine.
What is the SMILES notation for (1S)-N-[1-(1-adamantyl)ethyl]-1-(furan-2-yl)ethanamine?
The canonical SMILES for (1S)-N-[1-(1-adamantyl)ethyl]-1-(furan-2-yl)ethanamine is CC(N[C@@H](C)c1ccco1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of (1S)-N-[1-(1-adamantyl)ethyl]-1-(furan-2-yl)ethanamine?
The InChIKey is CRZZMGUYBXLLHH-UCRBLCQZSA-N. The full InChI is InChI=1S/C18H27NO/c1-12(17-4-3-5-20-17)19-13(2)18-9-14-6-15(10-18)8-16(7-14)11-18/h3-5,12-16,19H,6-11H2,1-2H3/t12-,13?,14?,15?,16?,18?/m0/s1.
What are the key properties of (1S)-N-[1-(1-adamantyl)ethyl]-1-(furan-2-yl)ethanamine?
(1S)-N-[1-(1-adamantyl)ethyl]-1-(furan-2-yl)ethanamine has a molecular weight of 273.42 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[1-(1-adamantyl)ethyl]-1-(furan-2-yl)ethanamine is sourced from PubChem (CID 81391467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).