N-(3-ethoxypropyl)-1-(furan-2-yl)propan-2-amine

C12H21NO2 — CID 63099763

IUPACN-(3-ethoxypropyl)-1-(furan-2-yl)propan-2-amine
SMILESCCOCCCNC(C)Cc1ccco1
InChIInChI=1S/C12H21NO2/c1-3-14-8-5-7-13-11(2)10-12-6-4-9-15-12/h4,6,9,11,13H,3,5,7-8,10H2,1-2H3
InChIKeyLAIIIVIMVGIFIQ-UHFFFAOYSA-N
MW211.31 g/mol
LogP2.23
Rot. Bonds8

About N-(3-ethoxypropyl)-1-(furan-2-yl)propan-2-amine

N-(3-ethoxypropyl)-1-(furan-2-yl)propan-2-amine (PubChem CID 63099763) has the molecular formula C12H21NO2 and a molecular weight of 211.31 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-1-(furan-2-yl)propan-2-amine.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-1-(furan-2-yl)propan-2-amine
PubChem CID63099763
Molecular FormulaC12H21NO2
Molecular Weight211.31 g/mol
Exact Mass211.16
IUPAC NameN-(3-ethoxypropyl)-1-(furan-2-yl)propan-2-amine
SMILESCCOCCCNC(C)Cc1ccco1
InChIInChI=1S/C12H21NO2/c1-3-14-8-5-7-13-11(2)10-12-6-4-9-15-12/h4,6,9,11,13H,3,5,7-8,10H2,1-2H3
InChIKeyLAIIIVIMVGIFIQ-UHFFFAOYSA-N
XLogP2.23
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-[1-(furan-2-yl)propan-2-yl]-N-methylbutane-1,4-diamine
CID 61470742
4-(furan-2-yl)-N-[3-(2-methylpropoxy)propyl]butan-2-amine
CID 43478908
N-[[2-(ethoxymethyl)phenyl]methyl]-1-(furan-2-yl)propan-2-amine
CID 63085668
N-(2,2-diethoxyethyl)-1-(furan-2-yl)propan-2-amine
CID 79547595
5-ethoxy-1-(furan-2-yl)pentan-2-amine
CID 105177455
3-ethoxy-N-[2-(furan-2-ylmethoxy)ethyl]propan-1-amine
CID 62565573
4-[2-(3-ethoxypropylamino)propyl]aniline
CID 82257195
1-(furan-2-yl)-N-[1-(furan-2-yl)propan-2-yl]propan-2-amine
CID 55179966
N-[(4-butoxyphenyl)methyl]-1-(furan-2-yl)propan-2-amine
CID 43432860
N-[3-(furan-2-ylmethoxy)propyl]-3-methoxybutan-2-amine
CID 115707867
1-(3-ethoxypropyl)-3-[2-(furan-2-yl)ethyl]thiourea
CID 113218414
N-[1-(furan-2-yl)propan-2-yl]-2,3-dimethylbutan-1-amine
CID 64568053

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-1-(furan-2-yl)propan-2-amine?
The IUPAC name of N-(3-ethoxypropyl)-1-(furan-2-yl)propan-2-amine (CID 63099763) is N-(3-ethoxypropyl)-1-(furan-2-yl)propan-2-amine.
What is the SMILES notation for N-(3-ethoxypropyl)-1-(furan-2-yl)propan-2-amine?
The canonical SMILES for N-(3-ethoxypropyl)-1-(furan-2-yl)propan-2-amine is CCOCCCNC(C)Cc1ccco1.
What is the InChIKey of N-(3-ethoxypropyl)-1-(furan-2-yl)propan-2-amine?
The InChIKey is LAIIIVIMVGIFIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-3-14-8-5-7-13-11(2)10-12-6-4-9-15-12/h4,6,9,11,13H,3,5,7-8,10H2,1-2H3.
What are the key properties of N-(3-ethoxypropyl)-1-(furan-2-yl)propan-2-amine?
N-(3-ethoxypropyl)-1-(furan-2-yl)propan-2-amine has a molecular weight of 211.31 g/mol, XLogP of 2.23, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-1-(furan-2-yl)propan-2-amine is sourced from PubChem (CID 63099763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).