N-ethyl-N-[[4-(4-methyl-3H-pyridin-4-yl)cyclohexa-2,4-dien-1-yl]methyl]propan-1-amine

C18H28N2 — CID 143866555

IUPACN-ethyl-N-[[4-(4-methyl-3H-pyridin-4-yl)cyclohexa-2,4-dien-1-yl]methyl]propan-1-amine
SMILESCCCN(CC)CC1C=CC(C2(C)C=CN=CC2)=CC1
InChIInChI=1S/C18H28N2/c1-4-14-20(5-2)15-16-6-8-17(9-7-16)18(3)10-12-19-13-11-18/h6,8-10,12-13,16H,4-5,7,11,14-15H2,1-3H3
InChIKeyWNTQVIYTWITPHK-UHFFFAOYSA-N
MW272.44 g/mol
LogP4.22
Rot. Bonds6

About N-ethyl-N-[[4-(4-methyl-3H-pyridin-4-yl)cyclohexa-2,4-dien-1-yl]methyl]propan-1-amine

N-ethyl-N-[[4-(4-methyl-3H-pyridin-4-yl)cyclohexa-2,4-dien-1-yl]methyl]propan-1-amine (PubChem CID 143866555) has the molecular formula C18H28N2 and a molecular weight of 272.44 g/mol. Its IUPAC name is N-ethyl-N-[[4-(4-methyl-3H-pyridin-4-yl)cyclohexa-2,4-dien-1-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-ethyl-N-[[4-(4-methyl-3H-pyridin-4-yl)cyclohexa-2,4-dien-1-yl]methyl]propan-1-amine
PubChem CID143866555
Molecular FormulaC18H28N2
Molecular Weight272.44 g/mol
Exact Mass272.23
IUPAC NameN-ethyl-N-[[4-(4-methyl-3H-pyridin-4-yl)cyclohexa-2,4-dien-1-yl]methyl]propan-1-amine
SMILESCCCN(CC)CC1C=CC(C2(C)C=CN=CC2)=CC1
InChIInChI=1S/C18H28N2/c1-4-14-20(5-2)15-16-6-8-17(9-7-16)18(3)10-12-19-13-11-18/h6,8-10,12-13,16H,4-5,7,11,14-15H2,1-3H3
InChIKeyWNTQVIYTWITPHK-UHFFFAOYSA-N
XLogP4.22
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.44
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-ethyl-N-[[4-(4-methyl-3H-pyridin-4-yl)cyclohexa-2,4-dien-1-yl]methyl]propan-1-amine with MolForge

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Related Compounds

3,4-dimethyl-3-[(1-methylpiperidin-4-ylidene)methyl]-4H-pyridine
CID 70813854
3-methyl-3-[(1-methylpiperidin-4-ylidene)methyl]-4H-pyridine
CID 143046256
methane;3-methyl-3-[(1-methylpiperidin-4-ylidene)methyl]-4H-pyridine
CID 143431658
ethane;4-methyl-4-[(2E,4Z)-5-methylhepta-2,4,6-trien-2-yl]-3H-pyridine
CID 145118249
8,9-ditert-butyl-4H-pyrido[1,2-a]pyrazine
CID 155649403
1-ethyl-4-(3H-pyridin-4-ylium-4-yl)-2H-pyridine
CID 87631281

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[4-(4-methyl-3H-pyridin-4-yl)cyclohexa-2,4-dien-1-yl]methyl]propan-1-amine?
The IUPAC name of N-ethyl-N-[[4-(4-methyl-3H-pyridin-4-yl)cyclohexa-2,4-dien-1-yl]methyl]propan-1-amine (CID 143866555) is N-ethyl-N-[[4-(4-methyl-3H-pyridin-4-yl)cyclohexa-2,4-dien-1-yl]methyl]propan-1-amine.
What is the SMILES notation for N-ethyl-N-[[4-(4-methyl-3H-pyridin-4-yl)cyclohexa-2,4-dien-1-yl]methyl]propan-1-amine?
The canonical SMILES for N-ethyl-N-[[4-(4-methyl-3H-pyridin-4-yl)cyclohexa-2,4-dien-1-yl]methyl]propan-1-amine is CCCN(CC)CC1C=CC(C2(C)C=CN=CC2)=CC1.
What is the InChIKey of N-ethyl-N-[[4-(4-methyl-3H-pyridin-4-yl)cyclohexa-2,4-dien-1-yl]methyl]propan-1-amine?
The InChIKey is WNTQVIYTWITPHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2/c1-4-14-20(5-2)15-16-6-8-17(9-7-16)18(3)10-12-19-13-11-18/h6,8-10,12-13,16H,4-5,7,11,14-15H2,1-3H3.
What are the key properties of N-ethyl-N-[[4-(4-methyl-3H-pyridin-4-yl)cyclohexa-2,4-dien-1-yl]methyl]propan-1-amine?
N-ethyl-N-[[4-(4-methyl-3H-pyridin-4-yl)cyclohexa-2,4-dien-1-yl]methyl]propan-1-amine has a molecular weight of 272.44 g/mol, XLogP of 4.22, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[4-(4-methyl-3H-pyridin-4-yl)cyclohexa-2,4-dien-1-yl]methyl]propan-1-amine is sourced from PubChem (CID 143866555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).