(3R)-3,7-dimethyl-N-(2-piperazin-1-ylethyl)oct-6-en-1-amine

C16H33N3 — CID 6480551

IUPAC(3R)-3,7-dimethyl-N-(2-piperazin-1-ylethyl)oct-6-en-1-amine
SMILESCC(C)=CCC[C@@H](C)CCNCCN1CCNCC1
InChIInChI=1S/C16H33N3/c1-15(2)5-4-6-16(3)7-8-17-9-12-19-13-10-18-11-14-19/h5,16-18H,4,6-14H2,1-3H3/t16-/m1/s1
InChIKeyNZHQYGXIQADINF-MRXNPFEDSA-N
MW267.46 g/mol
LogP2.25
Rot. Bonds9

About (3R)-3,7-dimethyl-N-(2-piperazin-1-ylethyl)oct-6-en-1-amine

(3R)-3,7-dimethyl-N-(2-piperazin-1-ylethyl)oct-6-en-1-amine (PubChem CID 6480551) has the molecular formula C16H33N3 and a molecular weight of 267.46 g/mol. Its IUPAC name is (3R)-3,7-dimethyl-N-(2-piperazin-1-ylethyl)oct-6-en-1-amine.

Molecular Properties

Compound Name(3R)-3,7-dimethyl-N-(2-piperazin-1-ylethyl)oct-6-en-1-amine
PubChem CID6480551
Molecular FormulaC16H33N3
Molecular Weight267.46 g/mol
Exact Mass267.27
IUPAC Name(3R)-3,7-dimethyl-N-(2-piperazin-1-ylethyl)oct-6-en-1-amine
SMILESCC(C)=CCC[C@@H](C)CCNCCN1CCNCC1
InChIInChI=1S/C16H33N3/c1-15(2)5-4-6-16(3)7-8-17-9-12-19-13-10-18-11-14-19/h5,16-18H,4,6-14H2,1-3H3/t16-/m1/s1
InChIKeyNZHQYGXIQADINF-MRXNPFEDSA-N
XLogP2.25
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (3R)-3,7-dimethyl-N-(2-piperazin-1-ylethyl)oct-6-en-1-amine with MolForge

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Related Compounds

N,N-dimethyl-N'-{[6-methyl-4-(4-methylpent-3-en-1-yl)cyclohex-3-en-1-yl]methyl}propane-1,3-diamine
CID 2855628
6,10-dimethyl-N-(2-piperazin-1-ylethyl)undeca-5,9-dien-2-amine
CID 659118
(E)-6,10-dimethyl-N-(2-(piperazin-1-yl)ethyl)undeca-5,9-dien-2-amine
CID 5389110
(2-Piperazin-1-yl-ethyl)-(2,2,5,9-tetramethyl-deca-4,8-dienyl)-amine
CID 1893792
1-(Cyclohex-3-en-1-ylmethyl)piperazine
CID 3150600
1-piperidineethanamine, N-[(2E)-3,7-dimethyl-2,6-octadienyl]-2-ethyl-
CID 6482274
1-[3-[(1R)-4-methylcyclohex-3-en-1-yl]butyl]piperazine
CID 24850675
2-(piperazin-1-yl)-N-[(2,4,6-trimethylcyclohex-3-en-1-yl)methyl]ethanamine
CID 2867167
Cambridge id 5410985
CID 28239625
1-(3,7-Dimethyloct-6-enyl)-4-methylpiperazine
CID 2845214
Pyridine, 1,2,3,6-tetrahydro-4-(4-piperidinyl)-
CID 5231471
4-[(E)-1-fluorohex-3-en-3-yl]piperidine
CID 89168225

Frequently Asked Questions

What is the IUPAC name of (3R)-3,7-dimethyl-N-(2-piperazin-1-ylethyl)oct-6-en-1-amine?
The IUPAC name of (3R)-3,7-dimethyl-N-(2-piperazin-1-ylethyl)oct-6-en-1-amine (CID 6480551) is (3R)-3,7-dimethyl-N-(2-piperazin-1-ylethyl)oct-6-en-1-amine.
What is the SMILES notation for (3R)-3,7-dimethyl-N-(2-piperazin-1-ylethyl)oct-6-en-1-amine?
The canonical SMILES for (3R)-3,7-dimethyl-N-(2-piperazin-1-ylethyl)oct-6-en-1-amine is CC(C)=CCC[C@@H](C)CCNCCN1CCNCC1.
What is the InChIKey of (3R)-3,7-dimethyl-N-(2-piperazin-1-ylethyl)oct-6-en-1-amine?
The InChIKey is NZHQYGXIQADINF-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H33N3/c1-15(2)5-4-6-16(3)7-8-17-9-12-19-13-10-18-11-14-19/h5,16-18H,4,6-14H2,1-3H3/t16-/m1/s1.
What are the key properties of (3R)-3,7-dimethyl-N-(2-piperazin-1-ylethyl)oct-6-en-1-amine?
(3R)-3,7-dimethyl-N-(2-piperazin-1-ylethyl)oct-6-en-1-amine has a molecular weight of 267.46 g/mol, XLogP of 2.25, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3,7-dimethyl-N-(2-piperazin-1-ylethyl)oct-6-en-1-amine is sourced from PubChem (CID 6480551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).