N-ethyl-N-(furan-2-ylmethyl)prop-2-yn-1-amine

C10H13NO — CID 60970119

IUPACN-ethyl-N-(furan-2-ylmethyl)prop-2-yn-1-amine
SMILESC#CCN(CC)Cc1ccco1
InChIInChI=1S/C10H13NO/c1-3-7-11(4-2)9-10-6-5-8-12-10/h1,5-6,8H,4,7,9H2,2H3
InChIKeyNBHJFFZSNXPPHM-UHFFFAOYSA-N
MW163.22 g/mol
LogP1.73
Rot. Bonds4

About N-ethyl-N-(furan-2-ylmethyl)prop-2-yn-1-amine

N-ethyl-N-(furan-2-ylmethyl)prop-2-yn-1-amine (PubChem CID 60970119) has the molecular formula C10H13NO and a molecular weight of 163.22 g/mol. Its IUPAC name is N-ethyl-N-(furan-2-ylmethyl)prop-2-yn-1-amine.

Molecular Properties

Compound NameN-ethyl-N-(furan-2-ylmethyl)prop-2-yn-1-amine
PubChem CID60970119
Molecular FormulaC10H13NO
Molecular Weight163.22 g/mol
Exact Mass163.10
IUPAC NameN-ethyl-N-(furan-2-ylmethyl)prop-2-yn-1-amine
SMILESC#CCN(CC)Cc1ccco1
InChIInChI=1S/C10H13NO/c1-3-7-11(4-2)9-10-6-5-8-12-10/h1,5-6,8H,4,7,9H2,2H3
InChIKeyNBHJFFZSNXPPHM-UHFFFAOYSA-N
XLogP1.73
TPSA16.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-[furan-2-ylmethyl(prop-2-ynyl)amino]butanoate
CID 56791574
1-N-ethyl-1-N-(furan-2-ylmethyl)-2-methylpropane-1,2-diamine
CID 61420775
3-[ethyl(furan-2-ylmethyl)amino]-2-methylpropanenitrile
CID 61423405
1-[ethyl(furan-2-ylmethyl)amino]butan-2-ol
CID 61423764
1-N-ethyl-1-N-(furan-2-ylmethyl)-2-N,2-dimethylpropane-1,2-diamine
CID 62845853
N'-ethyl-N,N'-bis(furan-2-ylmethyl)ethane-1,2-diamine
CID 62558930
1-bromo-3-[ethyl(furan-2-ylmethyl)amino]propan-2-ol
CID 112561353
2,2-diethoxy-N-ethyl-N-(furan-2-ylmethyl)ethanamine
CID 63619200
2-(bromomethyl)-N,2-diethyl-N-(furan-2-ylmethyl)butan-1-amine
CID 65003976
N-(furan-2-ylmethyl)-N-pentylpentan-1-amine
CID 86163523
1-[ethyl(furan-2-ylmethyl)amino]-3-methylbutan-2-one
CID 79395471
N-[[2-(2-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(furan-2-ylmethyl)prop-2-yn-1-amine
CID 26396145

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-(furan-2-ylmethyl)prop-2-yn-1-amine?
The IUPAC name of N-ethyl-N-(furan-2-ylmethyl)prop-2-yn-1-amine (CID 60970119) is N-ethyl-N-(furan-2-ylmethyl)prop-2-yn-1-amine.
What is the SMILES notation for N-ethyl-N-(furan-2-ylmethyl)prop-2-yn-1-amine?
The canonical SMILES for N-ethyl-N-(furan-2-ylmethyl)prop-2-yn-1-amine is C#CCN(CC)Cc1ccco1.
What is the InChIKey of N-ethyl-N-(furan-2-ylmethyl)prop-2-yn-1-amine?
The InChIKey is NBHJFFZSNXPPHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO/c1-3-7-11(4-2)9-10-6-5-8-12-10/h1,5-6,8H,4,7,9H2,2H3.
What are the key properties of N-ethyl-N-(furan-2-ylmethyl)prop-2-yn-1-amine?
N-ethyl-N-(furan-2-ylmethyl)prop-2-yn-1-amine has a molecular weight of 163.22 g/mol, XLogP of 1.73, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-(furan-2-ylmethyl)prop-2-yn-1-amine is sourced from PubChem (CID 60970119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).