ethane;4-(4-methyl-2,3,4,5-tetrahydropyridin-6-yl)cyclohexa-1,3-dien-1-amine

C14H24N2 — CID 145431752

IUPACethane;4-(4-methyl-2,3,4,5-tetrahydropyridin-6-yl)cyclohexa-1,3-dien-1-amine
SMILESCC.CC1CCN=C(C2=CC=C(N)CC2)C1
InChIInChI=1S/C12H18N2.C2H6/c1-9-6-7-14-12(8-9)10-2-4-11(13)5-3-10;1-2/h2,4,9H,3,5-8,13H2,1H3;1-2H3
InChIKeyURMPDUQORDQZGI-UHFFFAOYSA-N
MW220.36 g/mol
LogP3.45
Rot. Bonds1

About ethane;4-(4-methyl-2,3,4,5-tetrahydropyridin-6-yl)cyclohexa-1,3-dien-1-amine

ethane;4-(4-methyl-2,3,4,5-tetrahydropyridin-6-yl)cyclohexa-1,3-dien-1-amine (PubChem CID 145431752) has the molecular formula C14H24N2 and a molecular weight of 220.36 g/mol. Its IUPAC name is ethane;4-(4-methyl-2,3,4,5-tetrahydropyridin-6-yl)cyclohexa-1,3-dien-1-amine.

Molecular Properties

Compound Nameethane;4-(4-methyl-2,3,4,5-tetrahydropyridin-6-yl)cyclohexa-1,3-dien-1-amine
PubChem CID145431752
Molecular FormulaC14H24N2
Molecular Weight220.36 g/mol
Exact Mass220.19
IUPAC Nameethane;4-(4-methyl-2,3,4,5-tetrahydropyridin-6-yl)cyclohexa-1,3-dien-1-amine
SMILESCC.CC1CCN=C(C2=CC=C(N)CC2)C1
InChIInChI=1S/C12H18N2.C2H6/c1-9-6-7-14-12(8-9)10-2-4-11(13)5-3-10;1-2/h2,4,9H,3,5-8,13H2,1H3;1-2H3
InChIKeyURMPDUQORDQZGI-UHFFFAOYSA-N
XLogP3.45
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;4-(4-methyl-2,3,4,5-tetrahydropyridin-6-yl)cyclohexa-1,3-dien-1-amine?
The IUPAC name of ethane;4-(4-methyl-2,3,4,5-tetrahydropyridin-6-yl)cyclohexa-1,3-dien-1-amine (CID 145431752) is ethane;4-(4-methyl-2,3,4,5-tetrahydropyridin-6-yl)cyclohexa-1,3-dien-1-amine.
What is the SMILES notation for ethane;4-(4-methyl-2,3,4,5-tetrahydropyridin-6-yl)cyclohexa-1,3-dien-1-amine?
The canonical SMILES for ethane;4-(4-methyl-2,3,4,5-tetrahydropyridin-6-yl)cyclohexa-1,3-dien-1-amine is CC.CC1CCN=C(C2=CC=C(N)CC2)C1.
What is the InChIKey of ethane;4-(4-methyl-2,3,4,5-tetrahydropyridin-6-yl)cyclohexa-1,3-dien-1-amine?
The InChIKey is URMPDUQORDQZGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2.C2H6/c1-9-6-7-14-12(8-9)10-2-4-11(13)5-3-10;1-2/h2,4,9H,3,5-8,13H2,1H3;1-2H3.
What are the key properties of ethane;4-(4-methyl-2,3,4,5-tetrahydropyridin-6-yl)cyclohexa-1,3-dien-1-amine?
ethane;4-(4-methyl-2,3,4,5-tetrahydropyridin-6-yl)cyclohexa-1,3-dien-1-amine has a molecular weight of 220.36 g/mol, XLogP of 3.45, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-(4-methyl-2,3,4,5-tetrahydropyridin-6-yl)cyclohexa-1,3-dien-1-amine is sourced from PubChem (CID 145431752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).