1-[(5Z)-7-iminoocta-3,5-dien-4-yl]-N,N-dimethylpiperidin-4-amine

C15H27N3 — CID 123871350

IUPAC1-[(5Z)-7-iminoocta-3,5-dien-4-yl]-N,N-dimethylpiperidin-4-amine
SMILES[H]/N=C(C)\C=C/C(=CCC)N1CCC(N(C)C)CC1
InChIInChI=1S/C15H27N3/c1-5-6-15(8-7-13(2)16)18-11-9-14(10-12-18)17(3)4/h6-8,14,16H,5,9-12H2,1-4H3/b8-7-,15-6?,16-13-
InChIKeyQKQQWIFEUSLUMD-FIXGTDDGSA-N
MW249.40 g/mol
LogP2.90
Rot. Bonds5

About 1-[(5Z)-7-iminoocta-3,5-dien-4-yl]-N,N-dimethylpiperidin-4-amine

1-[(5Z)-7-iminoocta-3,5-dien-4-yl]-N,N-dimethylpiperidin-4-amine (PubChem CID 123871350) has the molecular formula C15H27N3 and a molecular weight of 249.40 g/mol. Its IUPAC name is 1-[(5Z)-7-iminoocta-3,5-dien-4-yl]-N,N-dimethylpiperidin-4-amine.

Molecular Properties

Compound Name1-[(5Z)-7-iminoocta-3,5-dien-4-yl]-N,N-dimethylpiperidin-4-amine
PubChem CID123871350
Molecular FormulaC15H27N3
Molecular Weight249.40 g/mol
Exact Mass249.22
IUPAC Name1-[(5Z)-7-iminoocta-3,5-dien-4-yl]-N,N-dimethylpiperidin-4-amine
SMILES[H]/N=C(C)\C=C/C(=CCC)N1CCC(N(C)C)CC1
InChIInChI=1S/C15H27N3/c1-5-6-15(8-7-13(2)16)18-11-9-14(10-12-18)17(3)4/h6-8,14,16H,5,9-12H2,1-4H3/b8-7-,15-6?,16-13-
InChIKeyQKQQWIFEUSLUMD-FIXGTDDGSA-N
XLogP2.90
TPSA30.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

1-(4-aminocyclohexa-2,4-dien-1-yl)-N,N-dimethylpiperidin-4-amine
CID 70994787
(2E,4Z)-4-(piperidin-1-ylmethyl)hepta-2,4,6-trien-3-amine
CID 88905163
(3Z)-5-imino-N-methyl-N-propan-2-ylhexa-1,3-dien-2-amine
CID 123420725
(3E)-4-(4-methylpiperazin-1-yl)hexa-3,5-dien-2-imine
CID 123708264
4-Methyl-5-[4-(1-methylpyrrolidin-1-ium-1-yl)piperidin-1-yl]hexa-3,5-dien-2-imine
CID 123854950
1-[(2Z,5Z)-4-iminohepta-2,5-dienyl]-N,N-dimethylpiperidin-4-amine
CID 123942337
(3E,5Z)-4-(4-methylpiperazin-1-yl)hepta-3,5-dien-2-imine
CID 141805902
1-[(2Z,4E)-hepta-2,4-dien-4-yl]piperidin-4-amine
CID 142872816
1-(5-aminocyclohepta-1,4,6-trien-1-yl)-N,N-dimethylpiperidin-4-amine
CID 144643423
N-[(1Z,3E)-2-ethenyl-3-(propan-2-ylideneamino)hexa-1,3,5-trienyl]-N-methyl-1-prop-1-en-2-ylpiperidin-4-amine
CID 169940144
1-[(E)-dec-5-enyl]-2-methyl-8,8a-dihydroquinolin-1-ium-4-amine
CID 44280249
4-(4-Methylidenepiperidin-1-yl)cyclohexa-3,5-diene-1,2-diimine
CID 142838712

Frequently Asked Questions

What is the IUPAC name of 1-[(5Z)-7-iminoocta-3,5-dien-4-yl]-N,N-dimethylpiperidin-4-amine?
The IUPAC name of 1-[(5Z)-7-iminoocta-3,5-dien-4-yl]-N,N-dimethylpiperidin-4-amine (CID 123871350) is 1-[(5Z)-7-iminoocta-3,5-dien-4-yl]-N,N-dimethylpiperidin-4-amine.
What is the SMILES notation for 1-[(5Z)-7-iminoocta-3,5-dien-4-yl]-N,N-dimethylpiperidin-4-amine?
The canonical SMILES for 1-[(5Z)-7-iminoocta-3,5-dien-4-yl]-N,N-dimethylpiperidin-4-amine is [H]/N=C(C)\C=C/C(=CCC)N1CCC(N(C)C)CC1.
What is the InChIKey of 1-[(5Z)-7-iminoocta-3,5-dien-4-yl]-N,N-dimethylpiperidin-4-amine?
The InChIKey is QKQQWIFEUSLUMD-FIXGTDDGSA-N. The full InChI is InChI=1S/C15H27N3/c1-5-6-15(8-7-13(2)16)18-11-9-14(10-12-18)17(3)4/h6-8,14,16H,5,9-12H2,1-4H3/b8-7-,15-6?,16-13-.
What are the key properties of 1-[(5Z)-7-iminoocta-3,5-dien-4-yl]-N,N-dimethylpiperidin-4-amine?
1-[(5Z)-7-iminoocta-3,5-dien-4-yl]-N,N-dimethylpiperidin-4-amine has a molecular weight of 249.40 g/mol, XLogP of 2.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5Z)-7-iminoocta-3,5-dien-4-yl]-N,N-dimethylpiperidin-4-amine is sourced from PubChem (CID 123871350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).