1-cyclopropyl-N-[(1S)-1-(furan-2-yl)ethyl]propan-1-amine

C12H19NO — CID 81403177

IUPAC1-cyclopropyl-N-[(1S)-1-(furan-2-yl)ethyl]propan-1-amine
SMILESCCC(N[C@@H](C)c1ccco1)C1CC1
InChIInChI=1S/C12H19NO/c1-3-11(10-6-7-10)13-9(2)12-5-4-8-14-12/h4-5,8-11,13H,3,6-7H2,1-2H3/t9-,11?/m0/s1
InChIKeyVONYDXKUKRDDNR-FTNKSUMCSA-N
MW193.29 g/mol
LogP3.12
Rot. Bonds5

About 1-cyclopropyl-N-[(1S)-1-(furan-2-yl)ethyl]propan-1-amine

1-cyclopropyl-N-[(1S)-1-(furan-2-yl)ethyl]propan-1-amine (PubChem CID 81403177) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is 1-cyclopropyl-N-[(1S)-1-(furan-2-yl)ethyl]propan-1-amine.

Molecular Properties

Compound Name1-cyclopropyl-N-[(1S)-1-(furan-2-yl)ethyl]propan-1-amine
PubChem CID81403177
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name1-cyclopropyl-N-[(1S)-1-(furan-2-yl)ethyl]propan-1-amine
SMILESCCC(N[C@@H](C)c1ccco1)C1CC1
InChIInChI=1S/C12H19NO/c1-3-11(10-6-7-10)13-9(2)12-5-4-8-14-12/h4-5,8-11,13H,3,6-7H2,1-2H3/t9-,11?/m0/s1
InChIKeyVONYDXKUKRDDNR-FTNKSUMCSA-N
XLogP3.12
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclopropyl-N-[(1R)-1-(furan-2-yl)ethyl]-4-methylpentan-1-amine
CID 114275951
1-cyclopropyl-N-[furan-2-yl(phenyl)methyl]propan-1-amine
CID 64919705
N-(1-cyclopropylethyl)-1-(furan-2-yl)propan-1-amine
CID 62632332
1-(furan-2-yl)-N-[(1R)-1-(furan-2-yl)ethyl]propan-1-amine
CID 81403040
N-[(1R)-1-(furan-2-yl)ethyl]-1-(1-propylpiperidin-4-yl)ethanamine
CID 81403845
N-[(1S)-1-(furan-2-yl)ethyl]pentan-2-amine
CID 81402655
(2R)-2-[1-(furan-2-yl)ethylamino]butan-1-ol
CID 103922442
(1R)-N-[cyclopropyl-(4-methoxyphenyl)methyl]-1-(furan-2-yl)ethanamine
CID 81403675
2-(1-cyclohexylpropylamino)-1-(furan-2-yl)ethanol
CID 62406474
N-(1-cyclohexylethyl)-1-(furan-2-yl)propan-1-amine
CID 62631853
(2S)-1-ethylsulfonyl-N-[(1R)-1-(furan-2-yl)ethyl]propan-2-amine
CID 97070512
1-(4-ethylphenyl)-N-[(1R)-1-(furan-2-yl)ethyl]propan-1-amine
CID 81403395

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-N-[(1S)-1-(furan-2-yl)ethyl]propan-1-amine?
The IUPAC name of 1-cyclopropyl-N-[(1S)-1-(furan-2-yl)ethyl]propan-1-amine (CID 81403177) is 1-cyclopropyl-N-[(1S)-1-(furan-2-yl)ethyl]propan-1-amine.
What is the SMILES notation for 1-cyclopropyl-N-[(1S)-1-(furan-2-yl)ethyl]propan-1-amine?
The canonical SMILES for 1-cyclopropyl-N-[(1S)-1-(furan-2-yl)ethyl]propan-1-amine is CCC(N[C@@H](C)c1ccco1)C1CC1.
What is the InChIKey of 1-cyclopropyl-N-[(1S)-1-(furan-2-yl)ethyl]propan-1-amine?
The InChIKey is VONYDXKUKRDDNR-FTNKSUMCSA-N. The full InChI is InChI=1S/C12H19NO/c1-3-11(10-6-7-10)13-9(2)12-5-4-8-14-12/h4-5,8-11,13H,3,6-7H2,1-2H3/t9-,11?/m0/s1.
What are the key properties of 1-cyclopropyl-N-[(1S)-1-(furan-2-yl)ethyl]propan-1-amine?
1-cyclopropyl-N-[(1S)-1-(furan-2-yl)ethyl]propan-1-amine has a molecular weight of 193.29 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-N-[(1S)-1-(furan-2-yl)ethyl]propan-1-amine is sourced from PubChem (CID 81403177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).