N-[(1S)-1-(furan-2-yl)ethyl]but-3-yn-1-amine

C10H13NO — CID 81399861

IUPACN-[(1S)-1-(furan-2-yl)ethyl]but-3-yn-1-amine
SMILESC#CCCN[C@@H](C)c1ccco1
InChIInChI=1S/C10H13NO/c1-3-4-7-11-9(2)10-6-5-8-12-10/h1,5-6,8-9,11H,4,7H2,2H3/t9-/m0/s1
InChIKeyAIWHDWBANUPBBF-VIFPVBQESA-N
MW163.22 g/mol
LogP1.95
Rot. Bonds4

About N-[(1S)-1-(furan-2-yl)ethyl]but-3-yn-1-amine

N-[(1S)-1-(furan-2-yl)ethyl]but-3-yn-1-amine (PubChem CID 81399861) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is N-[(1S)-1-(furan-2-yl)ethyl]but-3-yn-1-amine.

Molecular Properties

Compound NameN-[(1S)-1-(furan-2-yl)ethyl]but-3-yn-1-amine
PubChem CID81399861
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC NameN-[(1S)-1-(furan-2-yl)ethyl]but-3-yn-1-amine
SMILESC#CCCN[C@@H](C)c1ccco1
InChIInChI=1S/C10H13NO/c1-3-4-7-11-9(2)10-6-5-8-12-10/h1,5-6,8-9,11H,4,7H2,2H3/t9-/m0/s1
InChIKeyAIWHDWBANUPBBF-VIFPVBQESA-N
XLogP1.95
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-[[(1S)-1-(furan-2-yl)ethyl]amino]butanenitrile
CID 81401126
5-[1-(furan-2-yl)ethylamino]pentanenitrile
CID 60698105
N'-[1-(furan-2-yl)ethyl]propane-1,3-diamine
CID 60889681
3-[[(1R)-1-(furan-2-yl)ethyl]amino]propan-1-ol
CID 28714744
N-[1-(furan-2-yl)ethyl]nonan-1-amine
CID 43535684
N-[(1R)-1-(furan-2-yl)ethyl]octan-1-amine
CID 81403081
(1S)-N-(2-ethoxyethyl)-1-(furan-2-yl)ethanamine
CID 81399975
N-[1-(furan-2-yl)ethyl]-3-methoxypropan-1-amine
CID 43205063
1-(furan-2-yl)-N-[2-(2-methylpropylsulfanyl)ethyl]ethanamine
CID 62577775
1-(furan-2-yl)-N-(2-pyridin-4-ylethyl)ethanamine
CID 60721044
N-[(1R)-1-thiophen-2-ylethyl]but-3-yn-1-amine
CID 81408577
N-[1-(furan-2-yl)ethyl]-N'-methyl-N'-propylethane-1,2-diamine
CID 62560734

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(furan-2-yl)ethyl]but-3-yn-1-amine?
The IUPAC name of N-[(1S)-1-(furan-2-yl)ethyl]but-3-yn-1-amine (CID 81399861) is N-[(1S)-1-(furan-2-yl)ethyl]but-3-yn-1-amine.
What is the SMILES notation for N-[(1S)-1-(furan-2-yl)ethyl]but-3-yn-1-amine?
The canonical SMILES for N-[(1S)-1-(furan-2-yl)ethyl]but-3-yn-1-amine is C#CCCN[C@@H](C)c1ccco1.
What is the InChIKey of N-[(1S)-1-(furan-2-yl)ethyl]but-3-yn-1-amine?
The InChIKey is AIWHDWBANUPBBF-VIFPVBQESA-N. The full InChI is InChI=1S/C10H13NO/c1-3-4-7-11-9(2)10-6-5-8-12-10/h1,5-6,8-9,11H,4,7H2,2H3/t9-/m0/s1.
What are the key properties of N-[(1S)-1-(furan-2-yl)ethyl]but-3-yn-1-amine?
N-[(1S)-1-(furan-2-yl)ethyl]but-3-yn-1-amine has a molecular weight of 163.22 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(furan-2-yl)ethyl]but-3-yn-1-amine is sourced from PubChem (CID 81399861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).