N,2-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]octa-2,7-dien-1-amine

C17H33N3 — CID 123343640

IUPACN,2-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]octa-2,7-dien-1-amine
SMILESC=CCCCC=C(C)CN(C)CCN1CCN(C)CC1
InChIInChI=1S/C17H33N3/c1-5-6-7-8-9-17(2)16-19(4)12-15-20-13-10-18(3)11-14-20/h5,9H,1,6-8,10-16H2,2-4H3
InChIKeyPVLBWVPLXUEYFW-UHFFFAOYSA-N
MW279.47 g/mol
LogP2.47
Rot. Bonds9

About N,2-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]octa-2,7-dien-1-amine

N,2-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]octa-2,7-dien-1-amine (PubChem CID 123343640) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is N,2-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]octa-2,7-dien-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]octa-2,7-dien-1-amine
PubChem CID123343640
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC NameN,2-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]octa-2,7-dien-1-amine
SMILESC=CCCCC=C(C)CN(C)CCN1CCN(C)CC1
InChIInChI=1S/C17H33N3/c1-5-6-7-8-9-17(2)16-19(4)12-15-20-13-10-18(3)11-14-20/h5,9H,1,6-8,10-16H2,2-4H3
InChIKeyPVLBWVPLXUEYFW-UHFFFAOYSA-N
XLogP2.47
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Piperazine, 1-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-
CID 6445849
Piperidine, 1-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-
CID 6446865
Piperazine, 1,4-bis(3,7,11-trimethyl-2,6,10-dodecatrienyl)-
CID 6446208
Piperazine, 1-allyl-4-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-
CID 6446858
Piperazine, 1-(2-propynyl)-4-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-
CID 6446875
1-(3,7,11-Trimethyl-2,6,10-dodecatrienyl)piperazine
CID 3039323
N-allyl-N-(2,7-dimethylocta-2,7-dien-1-yl)piperidinium bromide
CID 172432411
3,7,11,15-Tetramethyl-1-(4-methylpyperadino)-hexadeca-2,6,10,14-tetraene
CID 132993812
1-methyl-4-[(2E,6Z,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]piperazine
CID 134764499
1-[(2E)-5-methylhexa-2,5-dienyl]piperidine
CID 12485222
1-(Cyclohexa-1,3-dien-1-ylmethyl)-4-methylpiperazine
CID 18465668
1-[(2E)-3,7-dimethylocta-2,6-dienyl]-1-prop-2-enylpiperidin-1-ium bromide
CID 20536252

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]octa-2,7-dien-1-amine?
The IUPAC name of N,2-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]octa-2,7-dien-1-amine (CID 123343640) is N,2-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]octa-2,7-dien-1-amine.
What is the SMILES notation for N,2-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]octa-2,7-dien-1-amine?
The canonical SMILES for N,2-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]octa-2,7-dien-1-amine is C=CCCCC=C(C)CN(C)CCN1CCN(C)CC1.
What is the InChIKey of N,2-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]octa-2,7-dien-1-amine?
The InChIKey is PVLBWVPLXUEYFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3/c1-5-6-7-8-9-17(2)16-19(4)12-15-20-13-10-18(3)11-14-20/h5,9H,1,6-8,10-16H2,2-4H3.
What are the key properties of N,2-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]octa-2,7-dien-1-amine?
N,2-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]octa-2,7-dien-1-amine has a molecular weight of 279.47 g/mol, XLogP of 2.47, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[2-(4-methylpiperazin-1-yl)ethyl]octa-2,7-dien-1-amine is sourced from PubChem (CID 123343640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).