(E)-3-(furan-2-yl)-N,2-dimethyl-N-[1-(4-methyl-2-pyridinyl)propan-2-yl]prop-2-en-1-amine

C18H24N2O — CID 46993820

IUPAC(E)-3-(furan-2-yl)-N,2-dimethyl-N-[1-(4-methyl-2-pyridinyl)propan-2-yl]prop-2-en-1-amine
SMILESC/C(=C\c1ccco1)CN(C)C(C)Cc1cc(C)ccn1
InChIInChI=1S/C18H24N2O/c1-14-7-8-19-17(10-14)12-16(3)20(4)13-15(2)11-18-6-5-9-21-18/h5-11,16H,12-13H2,1-4H3/b15-11+
InChIKeyNZDKTQXHLOSPPK-RVDMUPIBSA-N
MW284.40 g/mol
LogP3.95
Rot. Bonds6

About (E)-3-(furan-2-yl)-N,2-dimethyl-N-[1-(4-methyl-2-pyridinyl)propan-2-yl]prop-2-en-1-amine

(E)-3-(furan-2-yl)-N,2-dimethyl-N-[1-(4-methyl-2-pyridinyl)propan-2-yl]prop-2-en-1-amine (PubChem CID 46993820) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is (E)-3-(furan-2-yl)-N,2-dimethyl-N-[1-(4-methyl-2-pyridinyl)propan-2-yl]prop-2-en-1-amine.

Molecular Properties

Compound Name(E)-3-(furan-2-yl)-N,2-dimethyl-N-[1-(4-methyl-2-pyridinyl)propan-2-yl]prop-2-en-1-amine
PubChem CID46993820
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name(E)-3-(furan-2-yl)-N,2-dimethyl-N-[1-(4-methyl-2-pyridinyl)propan-2-yl]prop-2-en-1-amine
SMILESC/C(=C\c1ccco1)CN(C)C(C)Cc1cc(C)ccn1
InChIInChI=1S/C18H24N2O/c1-14-7-8-19-17(10-14)12-16(3)20(4)13-15(2)11-18-6-5-9-21-18/h5-11,16H,12-13H2,1-4H3/b15-11+
InChIKeyNZDKTQXHLOSPPK-RVDMUPIBSA-N
XLogP3.95
TPSA29.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (E)-3-(furan-2-yl)-N,2-dimethyl-N-[1-(4-methyl-2-pyridinyl)propan-2-yl]prop-2-en-1-amine?
The IUPAC name of (E)-3-(furan-2-yl)-N,2-dimethyl-N-[1-(4-methyl-2-pyridinyl)propan-2-yl]prop-2-en-1-amine (CID 46993820) is (E)-3-(furan-2-yl)-N,2-dimethyl-N-[1-(4-methyl-2-pyridinyl)propan-2-yl]prop-2-en-1-amine.
What is the SMILES notation for (E)-3-(furan-2-yl)-N,2-dimethyl-N-[1-(4-methyl-2-pyridinyl)propan-2-yl]prop-2-en-1-amine?
The canonical SMILES for (E)-3-(furan-2-yl)-N,2-dimethyl-N-[1-(4-methyl-2-pyridinyl)propan-2-yl]prop-2-en-1-amine is C/C(=C\c1ccco1)CN(C)C(C)Cc1cc(C)ccn1.
What is the InChIKey of (E)-3-(furan-2-yl)-N,2-dimethyl-N-[1-(4-methyl-2-pyridinyl)propan-2-yl]prop-2-en-1-amine?
The InChIKey is NZDKTQXHLOSPPK-RVDMUPIBSA-N. The full InChI is InChI=1S/C18H24N2O/c1-14-7-8-19-17(10-14)12-16(3)20(4)13-15(2)11-18-6-5-9-21-18/h5-11,16H,12-13H2,1-4H3/b15-11+.
What are the key properties of (E)-3-(furan-2-yl)-N,2-dimethyl-N-[1-(4-methyl-2-pyridinyl)propan-2-yl]prop-2-en-1-amine?
(E)-3-(furan-2-yl)-N,2-dimethyl-N-[1-(4-methyl-2-pyridinyl)propan-2-yl]prop-2-en-1-amine has a molecular weight of 284.40 g/mol, XLogP of 3.95, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(furan-2-yl)-N,2-dimethyl-N-[1-(4-methyl-2-pyridinyl)propan-2-yl]prop-2-en-1-amine is sourced from PubChem (CID 46993820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).