N-but-1-en-2-yl-6-cyclohexa-1,5-dien-1-yl-3,4-dihydropyridin-2-amine

C15H20N2 — CID 145232194

IUPACN-but-1-en-2-yl-6-cyclohexa-1,5-dien-1-yl-3,4-dihydropyridin-2-amine
SMILESC=C(CC)NC1=NC(C2=CCCC=C2)=CCC1
InChIInChI=1S/C15H20N2/c1-3-12(2)16-15-11-7-10-14(17-15)13-8-5-4-6-9-13/h5,8-10H,2-4,6-7,11H2,1H3,(H,16,17)
InChIKeyFNLKGHWCDFPHNX-UHFFFAOYSA-N
MW228.34 g/mol
LogP3.85
Rot. Bonds3

About N-but-1-en-2-yl-6-cyclohexa-1,5-dien-1-yl-3,4-dihydropyridin-2-amine

N-but-1-en-2-yl-6-cyclohexa-1,5-dien-1-yl-3,4-dihydropyridin-2-amine (PubChem CID 145232194) has the molecular formula C15H20N2 and a molecular weight of 228.34 g/mol. Its IUPAC name is N-but-1-en-2-yl-6-cyclohexa-1,5-dien-1-yl-3,4-dihydropyridin-2-amine.

Molecular Properties

Compound NameN-but-1-en-2-yl-6-cyclohexa-1,5-dien-1-yl-3,4-dihydropyridin-2-amine
PubChem CID145232194
Molecular FormulaC15H20N2
Molecular Weight228.34 g/mol
Exact Mass228.16
IUPAC NameN-but-1-en-2-yl-6-cyclohexa-1,5-dien-1-yl-3,4-dihydropyridin-2-amine
SMILESC=C(CC)NC1=NC(C2=CCCC=C2)=CCC1
InChIInChI=1S/C15H20N2/c1-3-12(2)16-15-11-7-10-14(17-15)13-8-5-4-6-9-13/h5,8-10H,2-4,6-7,11H2,1H3,(H,16,17)
InChIKeyFNLKGHWCDFPHNX-UHFFFAOYSA-N
XLogP3.85
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N'-[(3E,5Z)-7-fluoro-2-methylhepta-1,3,5-trien-3-yl]-N-[(3E)-penta-1,3-dien-3-yl]butanimidamide
CID 139418781
(6E)-6-[(E)-3-fluorobut-2-enylidene]-N-[(3E,5Z)-2-methylhepta-1,3,5-trien-4-yl]-5-propan-2-ylidenepyridin-2-amine
CID 156033214
N'-[(3Z)-2,4-difluorohexa-1,3,5-trien-3-yl]-N-[(3E)-2-methylpenta-1,3-dien-3-yl]ethanimidamide
CID 144199924
(6E)-6-[(E)-3-fluorobut-2-enylidene]-N-[(3E)-2-methylhepta-1,3,5-trien-4-yl]-5-methylidenepyridin-2-amine
CID 155584311
N-cyclohexa-1,3-dien-1-yl-N'-cyclohex-3-en-1-ylethanimidamide
CID 70875519
N-cyclohexa-1,3-dien-1-yl-N'-[(Z)-hex-4-enyl]ethanimidamide
CID 70875583
N'-methyl-2-[[(3E)-penta-1,3-dien-2-yl]amino]cyclohexa-1,3-diene-1-carboximidamide
CID 89091557
4-Cyclohexa-1,5-dien-1-yl-2-cyclohexa-2,4-dien-1-yl-6-methyl-1,4-dihydropyrimidine
CID 89603847
2-[(Z,4E)-4-cyclohexa-2,4-dien-1-ylidenebut-2-enyl]-4,6-dimethyl-1,4-dihydro-1,3,5-triazine
CID 122600421
4-ethyl-2-methyl-6-[(1Z)-penta-1,3-dienyl]-1,4-dihydropyrimidine
CID 123186985
(4R)-6-methyl-2-[(E)-pent-2-en-3-yl]-4-prop-2-enyl-1,4-dihydropyrimidine
CID 129208626
(7R)-2,4,4,7-tetramethyl-6,7-dihydro-1H-quinazoline
CID 132060880

Frequently Asked Questions

What is the IUPAC name of N-but-1-en-2-yl-6-cyclohexa-1,5-dien-1-yl-3,4-dihydropyridin-2-amine?
The IUPAC name of N-but-1-en-2-yl-6-cyclohexa-1,5-dien-1-yl-3,4-dihydropyridin-2-amine (CID 145232194) is N-but-1-en-2-yl-6-cyclohexa-1,5-dien-1-yl-3,4-dihydropyridin-2-amine.
What is the SMILES notation for N-but-1-en-2-yl-6-cyclohexa-1,5-dien-1-yl-3,4-dihydropyridin-2-amine?
The canonical SMILES for N-but-1-en-2-yl-6-cyclohexa-1,5-dien-1-yl-3,4-dihydropyridin-2-amine is C=C(CC)NC1=NC(C2=CCCC=C2)=CCC1.
What is the InChIKey of N-but-1-en-2-yl-6-cyclohexa-1,5-dien-1-yl-3,4-dihydropyridin-2-amine?
The InChIKey is FNLKGHWCDFPHNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2/c1-3-12(2)16-15-11-7-10-14(17-15)13-8-5-4-6-9-13/h5,8-10H,2-4,6-7,11H2,1H3,(H,16,17).
What are the key properties of N-but-1-en-2-yl-6-cyclohexa-1,5-dien-1-yl-3,4-dihydropyridin-2-amine?
N-but-1-en-2-yl-6-cyclohexa-1,5-dien-1-yl-3,4-dihydropyridin-2-amine has a molecular weight of 228.34 g/mol, XLogP of 3.85, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-1-en-2-yl-6-cyclohexa-1,5-dien-1-yl-3,4-dihydropyridin-2-amine is sourced from PubChem (CID 145232194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).