N-(3,7-dimethylocta-2,6-dienyl)-N'-(2-ethylpiperidin-1-yl)ethane-1,2-diamine

C19H37N3 — CID 77234085

IUPACN-(3,7-dimethylocta-2,6-dienyl)-N'-(2-ethylpiperidin-1-yl)ethane-1,2-diamine
SMILESCCC1CCCCN1NCCNCC=C(C)CCC=C(C)C
InChIInChI=1S/C19H37N3/c1-5-19-11-6-7-16-22(19)21-15-14-20-13-12-18(4)10-8-9-17(2)3/h9,12,19-21H,5-8,10-11,13-16H2,1-4H3
InChIKeyUJNKRPCECIJAQZ-UHFFFAOYSA-N
MW307.53 g/mol
LogP4.04
Rot. Bonds10

About N-(3,7-dimethylocta-2,6-dienyl)-N'-(2-ethylpiperidin-1-yl)ethane-1,2-diamine

N-(3,7-dimethylocta-2,6-dienyl)-N'-(2-ethylpiperidin-1-yl)ethane-1,2-diamine (PubChem CID 77234085) has the molecular formula C19H37N3 and a molecular weight of 307.53 g/mol. Its IUPAC name is N-(3,7-dimethylocta-2,6-dienyl)-N'-(2-ethylpiperidin-1-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-(3,7-dimethylocta-2,6-dienyl)-N'-(2-ethylpiperidin-1-yl)ethane-1,2-diamine
PubChem CID77234085
Molecular FormulaC19H37N3
Molecular Weight307.53 g/mol
Exact Mass307.30
IUPAC NameN-(3,7-dimethylocta-2,6-dienyl)-N'-(2-ethylpiperidin-1-yl)ethane-1,2-diamine
SMILESCCC1CCCCN1NCCNCC=C(C)CCC=C(C)C
InChIInChI=1S/C19H37N3/c1-5-19-11-6-7-16-22(19)21-15-14-20-13-12-18(4)10-8-9-17(2)3/h9,12,19-21H,5-8,10-11,13-16H2,1-4H3
InChIKeyUJNKRPCECIJAQZ-UHFFFAOYSA-N
XLogP4.04
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.53
LogP ≤ 54.04
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'}

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Related Compounds

1-piperidineethanamine, N-[(2E)-3,7-dimethyl-2,6-octadienyl]-2-ethyl-
CID 6482274
[(1E)-2,6-Dimethylhepta-1,5-dien-1-yl][2-(2-ethylpiperidin-1-yl)ethyl]amine
CID 3006131
trans-2-Methyl-6-(cis-6'-n-pentadecenyl) piperidine
CID 129866375
trans-2-Methyl-6-(cis-4'-n-tridecenyl) piperidine
CID 129866793
(2-Piperidin-1-yl-ethyl)-(1,5,9-trimethyl-deca-4,8-dienyl)-amine
CID 6480529
N-octadec-9-enylpiperazin-1-amine
CID 54245080
1-N,2-N-bis(3-methylcyclohex-2-en-1-yl)propane-1,2-diamine
CID 66814125
N-[(2E)-3,7-dimethylocta-2,6-dienyl]-N'-(2-ethylpiperidin-1-yl)ethane-1,2-diamine
CID 67159097
N-[(Z)-octadec-9-enyl]piperazin-1-amine
CID 67796284
N-[(Z)-octadec-9-enyl]-2-propylpiperazin-1-amine
CID 69011227
N-[(Z)-octadec-9-enyl]-4-propylpiperazin-1-amine
CID 69011229
(2E)-3,7-dimethyl-N-[3-(1-methylpiperidin-2-yl)propyl]octa-2,6-dien-1-amine
CID 69034989

Frequently Asked Questions

What is the IUPAC name of N-(3,7-dimethylocta-2,6-dienyl)-N'-(2-ethylpiperidin-1-yl)ethane-1,2-diamine?
The IUPAC name of N-(3,7-dimethylocta-2,6-dienyl)-N'-(2-ethylpiperidin-1-yl)ethane-1,2-diamine (CID 77234085) is N-(3,7-dimethylocta-2,6-dienyl)-N'-(2-ethylpiperidin-1-yl)ethane-1,2-diamine.
What is the SMILES notation for N-(3,7-dimethylocta-2,6-dienyl)-N'-(2-ethylpiperidin-1-yl)ethane-1,2-diamine?
The canonical SMILES for N-(3,7-dimethylocta-2,6-dienyl)-N'-(2-ethylpiperidin-1-yl)ethane-1,2-diamine is CCC1CCCCN1NCCNCC=C(C)CCC=C(C)C.
What is the InChIKey of N-(3,7-dimethylocta-2,6-dienyl)-N'-(2-ethylpiperidin-1-yl)ethane-1,2-diamine?
The InChIKey is UJNKRPCECIJAQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H37N3/c1-5-19-11-6-7-16-22(19)21-15-14-20-13-12-18(4)10-8-9-17(2)3/h9,12,19-21H,5-8,10-11,13-16H2,1-4H3.
What are the key properties of N-(3,7-dimethylocta-2,6-dienyl)-N'-(2-ethylpiperidin-1-yl)ethane-1,2-diamine?
N-(3,7-dimethylocta-2,6-dienyl)-N'-(2-ethylpiperidin-1-yl)ethane-1,2-diamine has a molecular weight of 307.53 g/mol, XLogP of 4.04, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,7-dimethylocta-2,6-dienyl)-N'-(2-ethylpiperidin-1-yl)ethane-1,2-diamine is sourced from PubChem (CID 77234085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).