N-[2-(4-methoxycyclohepta-1,3,5-trien-1-yl)ethyl]-1-(2-methylidene-1H-pyridin-3-yl)ethanamine

C18H24N2O — CID 170638851

IUPACN-[2-(4-methoxycyclohepta-1,3,5-trien-1-yl)ethyl]-1-(2-methylidene-1H-pyridin-3-yl)ethanamine
SMILESC=C1NC=CC=C1C(C)NCCC1=CC=C(OC)C=CC1
InChIInChI=1S/C18H24N2O/c1-14-18(8-5-12-19-14)15(2)20-13-11-16-6-4-7-17(21-3)10-9-16/h4-5,7-10,12,15,19-20H,1,6,11,13H2,2-3H3
InChIKeyWXNGFEIDHPPMQD-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.33
Rot. Bonds6

About N-[2-(4-methoxycyclohepta-1,3,5-trien-1-yl)ethyl]-1-(2-methylidene-1H-pyridin-3-yl)ethanamine

N-[2-(4-methoxycyclohepta-1,3,5-trien-1-yl)ethyl]-1-(2-methylidene-1H-pyridin-3-yl)ethanamine (PubChem CID 170638851) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is N-[2-(4-methoxycyclohepta-1,3,5-trien-1-yl)ethyl]-1-(2-methylidene-1H-pyridin-3-yl)ethanamine.

Molecular Properties

Compound NameN-[2-(4-methoxycyclohepta-1,3,5-trien-1-yl)ethyl]-1-(2-methylidene-1H-pyridin-3-yl)ethanamine
PubChem CID170638851
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC NameN-[2-(4-methoxycyclohepta-1,3,5-trien-1-yl)ethyl]-1-(2-methylidene-1H-pyridin-3-yl)ethanamine
SMILESC=C1NC=CC=C1C(C)NCCC1=CC=C(OC)C=CC1
InChIInChI=1S/C18H24N2O/c1-14-18(8-5-12-19-14)15(2)20-13-11-16-6-4-7-17(21-3)10-9-16/h4-5,7-10,12,15,19-20H,1,6,11,13H2,2-3H3
InChIKeyWXNGFEIDHPPMQD-UHFFFAOYSA-N
XLogP3.33
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxycyclohepta-1,3,5-trien-1-yl)ethyl]-1-(2-methylidene-1H-pyridin-3-yl)ethanamine?
The IUPAC name of N-[2-(4-methoxycyclohepta-1,3,5-trien-1-yl)ethyl]-1-(2-methylidene-1H-pyridin-3-yl)ethanamine (CID 170638851) is N-[2-(4-methoxycyclohepta-1,3,5-trien-1-yl)ethyl]-1-(2-methylidene-1H-pyridin-3-yl)ethanamine.
What is the SMILES notation for N-[2-(4-methoxycyclohepta-1,3,5-trien-1-yl)ethyl]-1-(2-methylidene-1H-pyridin-3-yl)ethanamine?
The canonical SMILES for N-[2-(4-methoxycyclohepta-1,3,5-trien-1-yl)ethyl]-1-(2-methylidene-1H-pyridin-3-yl)ethanamine is C=C1NC=CC=C1C(C)NCCC1=CC=C(OC)C=CC1.
What is the InChIKey of N-[2-(4-methoxycyclohepta-1,3,5-trien-1-yl)ethyl]-1-(2-methylidene-1H-pyridin-3-yl)ethanamine?
The InChIKey is WXNGFEIDHPPMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O/c1-14-18(8-5-12-19-14)15(2)20-13-11-16-6-4-7-17(21-3)10-9-16/h4-5,7-10,12,15,19-20H,1,6,11,13H2,2-3H3.
What are the key properties of N-[2-(4-methoxycyclohepta-1,3,5-trien-1-yl)ethyl]-1-(2-methylidene-1H-pyridin-3-yl)ethanamine?
N-[2-(4-methoxycyclohepta-1,3,5-trien-1-yl)ethyl]-1-(2-methylidene-1H-pyridin-3-yl)ethanamine has a molecular weight of 284.40 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxycyclohepta-1,3,5-trien-1-yl)ethyl]-1-(2-methylidene-1H-pyridin-3-yl)ethanamine is sourced from PubChem (CID 170638851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).