N-(6-buta-1,3-dien-2-ylcyclohexa-1,3-dien-1-yl)-N,1-dimethylpiperidin-4-amine

C17H26N2 — CID 166857934

IUPACN-(6-buta-1,3-dien-2-ylcyclohexa-1,3-dien-1-yl)-N,1-dimethylpiperidin-4-amine
SMILESC=CC(=C)C1CC=CC=C1N(C)C1CCN(C)CC1
InChIInChI=1S/C17H26N2/c1-5-14(2)16-8-6-7-9-17(16)19(4)15-10-12-18(3)13-11-15/h5-7,9,15-16H,1-2,8,10-13H2,3-4H3
InChIKeyZJWYIHQQXOGTJA-UHFFFAOYSA-N
MW258.41 g/mol
LogP3.21
Rot. Bonds4

About N-(6-buta-1,3-dien-2-ylcyclohexa-1,3-dien-1-yl)-N,1-dimethylpiperidin-4-amine

N-(6-buta-1,3-dien-2-ylcyclohexa-1,3-dien-1-yl)-N,1-dimethylpiperidin-4-amine (PubChem CID 166857934) has the molecular formula C17H26N2 and a molecular weight of 258.41 g/mol. Its IUPAC name is N-(6-buta-1,3-dien-2-ylcyclohexa-1,3-dien-1-yl)-N,1-dimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-(6-buta-1,3-dien-2-ylcyclohexa-1,3-dien-1-yl)-N,1-dimethylpiperidin-4-amine
PubChem CID166857934
Molecular FormulaC17H26N2
Molecular Weight258.41 g/mol
Exact Mass258.21
IUPAC NameN-(6-buta-1,3-dien-2-ylcyclohexa-1,3-dien-1-yl)-N,1-dimethylpiperidin-4-amine
SMILESC=CC(=C)C1CC=CC=C1N(C)C1CCN(C)CC1
InChIInChI=1S/C17H26N2/c1-5-14(2)16-8-6-7-9-17(16)19(4)15-10-12-18(3)13-11-15/h5-7,9,15-16H,1-2,8,10-13H2,3-4H3
InChIKeyZJWYIHQQXOGTJA-UHFFFAOYSA-N
XLogP3.21
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.41
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze N-(6-buta-1,3-dien-2-ylcyclohexa-1,3-dien-1-yl)-N,1-dimethylpiperidin-4-amine with MolForge

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Related Compounds

N-butyltetrahydroquinoline
CID 70628816
Dimethyl hexahydroquinoline
CID 129883835
1-[(2E,4Z,6E)-8-fluoro-3,5-dimethylocta-2,4,6-trien-2-yl]-N,N-dimethylpiperidin-4-amine
CID 167025554
1-[(3Z)-4-fluoro-5-methylhexa-1,3,5-trien-3-yl]-4-[(4-methylpiperidin-1-yl)methyl]piperidine
CID 177974533
4-[4-[(E)-2-(2-fluorocyclohexa-1,3-dien-1-yl)ethenyl]piperidin-1-yl]-N-methylbut-1-en-2-amine
CID 142816354
9-ethenyl-7-[3-[4-[(Z,2Z)-2-ethylidene-5-fluorohex-3-enyl]piperidin-1-yl]propyl]-7-azabicyclo[4.3.1]deca-1,5,8-triene
CID 143503275
4-ethenyl-4-fluoro-1-[[1-[(2E,4Z)-5-methyl-3-(2-methylpropyl)hepta-2,4,6-trien-2-yl]piperidin-4-yl]methyl]piperidine
CID 156796983
6,7,7a,11a-tetrahydro-4aH-isoquinolino[2,1-a]quinoline
CID 17944690
1-methyl-4-(1-methylpiperidin-4-yl)-2H-pyridine
CID 20384780
1-ethyl-4-(1-ethylpiperidin-4-yl)-2H-pyridine
CID 21321902
Lithium 1-(3-propan-2-ylbenzene-6-id-1-yl)piperidine
CID 57532711
Magnesium;1-(3-propan-2-ylbenzene-2-id-1-yl)piperidine;bromide
CID 57532740

Frequently Asked Questions

What is the IUPAC name of N-(6-buta-1,3-dien-2-ylcyclohexa-1,3-dien-1-yl)-N,1-dimethylpiperidin-4-amine?
The IUPAC name of N-(6-buta-1,3-dien-2-ylcyclohexa-1,3-dien-1-yl)-N,1-dimethylpiperidin-4-amine (CID 166857934) is N-(6-buta-1,3-dien-2-ylcyclohexa-1,3-dien-1-yl)-N,1-dimethylpiperidin-4-amine.
What is the SMILES notation for N-(6-buta-1,3-dien-2-ylcyclohexa-1,3-dien-1-yl)-N,1-dimethylpiperidin-4-amine?
The canonical SMILES for N-(6-buta-1,3-dien-2-ylcyclohexa-1,3-dien-1-yl)-N,1-dimethylpiperidin-4-amine is C=CC(=C)C1CC=CC=C1N(C)C1CCN(C)CC1.
What is the InChIKey of N-(6-buta-1,3-dien-2-ylcyclohexa-1,3-dien-1-yl)-N,1-dimethylpiperidin-4-amine?
The InChIKey is ZJWYIHQQXOGTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2/c1-5-14(2)16-8-6-7-9-17(16)19(4)15-10-12-18(3)13-11-15/h5-7,9,15-16H,1-2,8,10-13H2,3-4H3.
What are the key properties of N-(6-buta-1,3-dien-2-ylcyclohexa-1,3-dien-1-yl)-N,1-dimethylpiperidin-4-amine?
N-(6-buta-1,3-dien-2-ylcyclohexa-1,3-dien-1-yl)-N,1-dimethylpiperidin-4-amine has a molecular weight of 258.41 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-buta-1,3-dien-2-ylcyclohexa-1,3-dien-1-yl)-N,1-dimethylpiperidin-4-amine is sourced from PubChem (CID 166857934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).