N,N,2-trimethyl-1-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methoxy]propan-2-amine

C15H28N2O2 — CID 79679317

IUPACN,N,2-trimethyl-1-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methoxy]propan-2-amine
SMILESCC(C)NCc1coc(COCC(C)(C)N(C)C)c1
InChIInChI=1S/C15H28N2O2/c1-12(2)16-8-13-7-14(19-9-13)10-18-11-15(3,4)17(5)6/h7,9,12,16H,8,10-11H2,1-6H3
InChIKeyJQQFHYVEUCPNSE-UHFFFAOYSA-N
MW268.40 g/mol
LogP2.63
Rot. Bonds8

About N,N,2-trimethyl-1-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methoxy]propan-2-amine

N,N,2-trimethyl-1-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methoxy]propan-2-amine (PubChem CID 79679317) has the molecular formula C15H28N2O2 and a molecular weight of 268.40 g/mol. Its IUPAC name is N,N,2-trimethyl-1-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methoxy]propan-2-amine.

Molecular Properties

Compound NameN,N,2-trimethyl-1-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methoxy]propan-2-amine
PubChem CID79679317
Molecular FormulaC15H28N2O2
Molecular Weight268.40 g/mol
Exact Mass268.22
IUPAC NameN,N,2-trimethyl-1-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methoxy]propan-2-amine
SMILESCC(C)NCc1coc(COCC(C)(C)N(C)C)c1
InChIInChI=1S/C15H28N2O2/c1-12(2)16-8-13-7-14(19-9-13)10-18-11-15(3,4)17(5)6/h7,9,12,16H,8,10-11H2,1-6H3
InChIKeyJQQFHYVEUCPNSE-UHFFFAOYSA-N
XLogP2.63
TPSA37.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N,2-trimethyl-1-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methoxy]propan-2-amine?
The IUPAC name of N,N,2-trimethyl-1-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methoxy]propan-2-amine (CID 79679317) is N,N,2-trimethyl-1-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methoxy]propan-2-amine.
What is the SMILES notation for N,N,2-trimethyl-1-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methoxy]propan-2-amine?
The canonical SMILES for N,N,2-trimethyl-1-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methoxy]propan-2-amine is CC(C)NCc1coc(COCC(C)(C)N(C)C)c1.
What is the InChIKey of N,N,2-trimethyl-1-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methoxy]propan-2-amine?
The InChIKey is JQQFHYVEUCPNSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N2O2/c1-12(2)16-8-13-7-14(19-9-13)10-18-11-15(3,4)17(5)6/h7,9,12,16H,8,10-11H2,1-6H3.
What are the key properties of N,N,2-trimethyl-1-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methoxy]propan-2-amine?
N,N,2-trimethyl-1-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methoxy]propan-2-amine has a molecular weight of 268.40 g/mol, XLogP of 2.63, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,2-trimethyl-1-[[4-[(propan-2-ylamino)methyl]furan-2-yl]methoxy]propan-2-amine is sourced from PubChem (CID 79679317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).