3,7-dimethyl-N-(2-piperazin-1-ylethyl)octa-2,6-dien-1-imine

C16H29N3 — CID 172654060

IUPAC3,7-dimethyl-N-(2-piperazin-1-ylethyl)octa-2,6-dien-1-imine
SMILESCC(C)=CCCC(C)=C/C=N/CCN1CCNCC1
InChIInChI=1S/C16H29N3/c1-15(2)5-4-6-16(3)7-8-17-9-12-19-13-10-18-11-14-19/h5,7-8,18H,4,6,9-14H2,1-3H3/b16-7?,17-8+
InChIKeyBYIHQXKUTMFOSW-QQCNWCFDSA-N
MW263.43 g/mol
LogP2.66
Rot. Bonds7

About 3,7-dimethyl-N-(2-piperazin-1-ylethyl)octa-2,6-dien-1-imine

3,7-dimethyl-N-(2-piperazin-1-ylethyl)octa-2,6-dien-1-imine (PubChem CID 172654060) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is 3,7-dimethyl-N-(2-piperazin-1-ylethyl)octa-2,6-dien-1-imine.

Molecular Properties

Compound Name3,7-dimethyl-N-(2-piperazin-1-ylethyl)octa-2,6-dien-1-imine
PubChem CID172654060
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC Name3,7-dimethyl-N-(2-piperazin-1-ylethyl)octa-2,6-dien-1-imine
SMILESCC(C)=CCCC(C)=C/C=N/CCN1CCNCC1
InChIInChI=1S/C16H29N3/c1-15(2)5-4-6-16(3)7-8-17-9-12-19-13-10-18-11-14-19/h5,7-8,18H,4,6,9-14H2,1-3H3/b16-7?,17-8+
InChIKeyBYIHQXKUTMFOSW-QQCNWCFDSA-N
XLogP2.66
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3,7-Dimethyloct-6-enylidene)piperazin-1-ium
CID 176435148
1-(3,5-Dimethyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)piperazin-1-ium
CID 20672907
1-(2,3-Dihydropyridin-4-ylmethyl)piperazine
CID 69744774
1-[1-(2,3-Dihydropyridin-4-yl)propyl]piperazine
CID 123300753
(Z)-N-methyl-2-(piperazin-1-ylmethyl)pent-2-en-1-imine
CID 144105550
ethane;(Z)-N-(2-piperazin-1-ylethyl)pent-2-en-1-imine
CID 144144783
(5-Methyl-2-piperazin-1-ylhex-4-enylidene)azanium
CID 164025640
1-[(2-Methyl-2,3-dihydropyridin-4-yl)methyl]piperazine
CID 164086792
1-[(2E,4E,6E,8E)-3,7-dimethyl-9-(2-methylcyclohexen-1-yl)nona-2,4,6,8-tetraenylidene]-4-methylpiperazine-1,4-diium
CID 21722410
(Z)-N-(2-piperazin-1-ylethyl)pent-2-en-1-imine
CID 144144784
5-Methyl-2-piperazin-1-ylhex-4-en-1-imine
CID 164025641

Frequently Asked Questions

What is the IUPAC name of 3,7-dimethyl-N-(2-piperazin-1-ylethyl)octa-2,6-dien-1-imine?
The IUPAC name of 3,7-dimethyl-N-(2-piperazin-1-ylethyl)octa-2,6-dien-1-imine (CID 172654060) is 3,7-dimethyl-N-(2-piperazin-1-ylethyl)octa-2,6-dien-1-imine.
What is the SMILES notation for 3,7-dimethyl-N-(2-piperazin-1-ylethyl)octa-2,6-dien-1-imine?
The canonical SMILES for 3,7-dimethyl-N-(2-piperazin-1-ylethyl)octa-2,6-dien-1-imine is CC(C)=CCCC(C)=C/C=N/CCN1CCNCC1.
What is the InChIKey of 3,7-dimethyl-N-(2-piperazin-1-ylethyl)octa-2,6-dien-1-imine?
The InChIKey is BYIHQXKUTMFOSW-QQCNWCFDSA-N. The full InChI is InChI=1S/C16H29N3/c1-15(2)5-4-6-16(3)7-8-17-9-12-19-13-10-18-11-14-19/h5,7-8,18H,4,6,9-14H2,1-3H3/b16-7?,17-8+.
What are the key properties of 3,7-dimethyl-N-(2-piperazin-1-ylethyl)octa-2,6-dien-1-imine?
3,7-dimethyl-N-(2-piperazin-1-ylethyl)octa-2,6-dien-1-imine has a molecular weight of 263.43 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7-dimethyl-N-(2-piperazin-1-ylethyl)octa-2,6-dien-1-imine is sourced from PubChem (CID 172654060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).