(2E)-N-[2-(2-ethylpiperidin-1-yl)ethyl]-3,7-dimethylocta-2,6-dien-1-amine

C19H36N2 — CID 6482274

IUPAC(2E)-N-[2-(2-ethylpiperidin-1-yl)ethyl]-3,7-dimethylocta-2,6-dien-1-amine
SMILESCCC1CCCCN1CCNC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C19H36N2/c1-5-19-11-6-7-15-21(19)16-14-20-13-12-18(4)10-8-9-17(2)3/h9,12,19-20H,5-8,10-11,13-16H2,1-4H3/b18-12+
InChIKeyZJNBDEJGLLSYMV-LDADJPATSA-N
MW292.51 g/mol
LogP4.53
Rot. Bonds9

About (2E)-N-[2-(2-ethylpiperidin-1-yl)ethyl]-3,7-dimethylocta-2,6-dien-1-amine

(2E)-N-[2-(2-ethylpiperidin-1-yl)ethyl]-3,7-dimethylocta-2,6-dien-1-amine (PubChem CID 6482274) has the molecular formula C19H36N2 and a molecular weight of 292.51 g/mol. Its IUPAC name is (2E)-N-[2-(2-ethylpiperidin-1-yl)ethyl]-3,7-dimethylocta-2,6-dien-1-amine.

Molecular Properties

Compound Name(2E)-N-[2-(2-ethylpiperidin-1-yl)ethyl]-3,7-dimethylocta-2,6-dien-1-amine
PubChem CID6482274
Molecular FormulaC19H36N2
Molecular Weight292.51 g/mol
Exact Mass292.29
IUPAC Name(2E)-N-[2-(2-ethylpiperidin-1-yl)ethyl]-3,7-dimethylocta-2,6-dien-1-amine
SMILESCCC1CCCCN1CCNC/C=C(\C)CCC=C(C)C
InChIInChI=1S/C19H36N2/c1-5-19-11-6-7-15-21(19)16-14-20-13-12-18(4)10-8-9-17(2)3/h9,12,19-20H,5-8,10-11,13-16H2,1-4H3/b18-12+
InChIKeyZJNBDEJGLLSYMV-LDADJPATSA-N
XLogP4.53
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.51
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

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
Piperazine, 1-(3,7,11-trimethyl-2,6,10-dodecatrienyl)-
CID 6445849
cis-(1R,2R,3Z)-1-N-butyl-2-N-hexyl-3-tetradecylidenecyclohexane-1,2-diamine
CID 44446343
(6Z)-N-[3-[4-(3-aminopropyl)piperazin-1-yl]propyl]-3,7,11-trimethyldodeca-2,6,10-trien-1-amine
CID 156013384
N'-allyl-N'-cyclopentyl-N-[(2E)-3,7-dimethylocta-2,6-dienyl]ethane-1,2-diamine
CID 6482275
R-Azabisabolene
CID 5289266
S-Azabisabolene
CID 5289326
1-(3,7,11-Trimethyl-2,6,10-dodecatrienyl)piperazine
CID 3039323
1-[(Cyclohex-1-en-1-yl)methyl]piperidin-4-amine
CID 86678245
N-[2-(4-fluoropiperidin-1-yl)ethyl]-2,4,7-trimethylocta-4,6-dien-3-amine
CID 123373633
3-ethyl-6-fluoro-N-(2-piperidin-1-ylethyl)hepta-3,5-dien-2-amine
CID 124007959

Frequently Asked Questions

What is the IUPAC name of (2E)-N-[2-(2-ethylpiperidin-1-yl)ethyl]-3,7-dimethylocta-2,6-dien-1-amine?
The IUPAC name of (2E)-N-[2-(2-ethylpiperidin-1-yl)ethyl]-3,7-dimethylocta-2,6-dien-1-amine (CID 6482274) is (2E)-N-[2-(2-ethylpiperidin-1-yl)ethyl]-3,7-dimethylocta-2,6-dien-1-amine.
What is the SMILES notation for (2E)-N-[2-(2-ethylpiperidin-1-yl)ethyl]-3,7-dimethylocta-2,6-dien-1-amine?
The canonical SMILES for (2E)-N-[2-(2-ethylpiperidin-1-yl)ethyl]-3,7-dimethylocta-2,6-dien-1-amine is CCC1CCCCN1CCNC/C=C(\C)CCC=C(C)C.
What is the InChIKey of (2E)-N-[2-(2-ethylpiperidin-1-yl)ethyl]-3,7-dimethylocta-2,6-dien-1-amine?
The InChIKey is ZJNBDEJGLLSYMV-LDADJPATSA-N. The full InChI is InChI=1S/C19H36N2/c1-5-19-11-6-7-15-21(19)16-14-20-13-12-18(4)10-8-9-17(2)3/h9,12,19-20H,5-8,10-11,13-16H2,1-4H3/b18-12+.
What are the key properties of (2E)-N-[2-(2-ethylpiperidin-1-yl)ethyl]-3,7-dimethylocta-2,6-dien-1-amine?
(2E)-N-[2-(2-ethylpiperidin-1-yl)ethyl]-3,7-dimethylocta-2,6-dien-1-amine has a molecular weight of 292.51 g/mol, XLogP of 4.53, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N-[2-(2-ethylpiperidin-1-yl)ethyl]-3,7-dimethylocta-2,6-dien-1-amine is sourced from PubChem (CID 6482274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).