2,3-dimethyl-N-[2-[2-[2-(pentan-2-ylamino)ethoxy]ethoxy]ethyl]hepta-2,6-dien-1-amine

C20H40N2O2 — CID 123659684

IUPAC2,3-dimethyl-N-[2-[2-[2-(pentan-2-ylamino)ethoxy]ethoxy]ethyl]hepta-2,6-dien-1-amine
SMILESC=CCCC(C)=C(C)CNCCOCCOCCNC(C)CCC
InChIInChI=1S/C20H40N2O2/c1-6-8-10-18(3)19(4)17-21-11-13-23-15-16-24-14-12-22-20(5)9-7-2/h6,20-22H,1,7-17H2,2-5H3
InChIKeyVUWHBEORIKOUNQ-UHFFFAOYSA-N
MW340.55 g/mol
LogP3.69
Rot. Bonds17

About 2,3-dimethyl-N-[2-[2-[2-(pentan-2-ylamino)ethoxy]ethoxy]ethyl]hepta-2,6-dien-1-amine

2,3-dimethyl-N-[2-[2-[2-(pentan-2-ylamino)ethoxy]ethoxy]ethyl]hepta-2,6-dien-1-amine (PubChem CID 123659684) has the molecular formula C20H40N2O2 and a molecular weight of 340.55 g/mol. Its IUPAC name is 2,3-dimethyl-N-[2-[2-[2-(pentan-2-ylamino)ethoxy]ethoxy]ethyl]hepta-2,6-dien-1-amine.

Molecular Properties

Compound Name2,3-dimethyl-N-[2-[2-[2-(pentan-2-ylamino)ethoxy]ethoxy]ethyl]hepta-2,6-dien-1-amine
PubChem CID123659684
Molecular FormulaC20H40N2O2
Molecular Weight340.55 g/mol
Exact Mass340.31
IUPAC Name2,3-dimethyl-N-[2-[2-[2-(pentan-2-ylamino)ethoxy]ethoxy]ethyl]hepta-2,6-dien-1-amine
SMILESC=CCCC(C)=C(C)CNCCOCCOCCNC(C)CCC
InChIInChI=1S/C20H40N2O2/c1-6-8-10-18(3)19(4)17-21-11-13-23-15-16-24-14-12-22-20(5)9-7-2/h6,20-22H,1,7-17H2,2-5H3
InChIKeyVUWHBEORIKOUNQ-UHFFFAOYSA-N
XLogP3.69
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.55
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-N-[2-[2-[2-(pentan-2-ylamino)ethoxy]ethoxy]ethyl]hepta-2,6-dien-1-amine?
The IUPAC name of 2,3-dimethyl-N-[2-[2-[2-(pentan-2-ylamino)ethoxy]ethoxy]ethyl]hepta-2,6-dien-1-amine (CID 123659684) is 2,3-dimethyl-N-[2-[2-[2-(pentan-2-ylamino)ethoxy]ethoxy]ethyl]hepta-2,6-dien-1-amine.
What is the SMILES notation for 2,3-dimethyl-N-[2-[2-[2-(pentan-2-ylamino)ethoxy]ethoxy]ethyl]hepta-2,6-dien-1-amine?
The canonical SMILES for 2,3-dimethyl-N-[2-[2-[2-(pentan-2-ylamino)ethoxy]ethoxy]ethyl]hepta-2,6-dien-1-amine is C=CCCC(C)=C(C)CNCCOCCOCCNC(C)CCC.
What is the InChIKey of 2,3-dimethyl-N-[2-[2-[2-(pentan-2-ylamino)ethoxy]ethoxy]ethyl]hepta-2,6-dien-1-amine?
The InChIKey is VUWHBEORIKOUNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H40N2O2/c1-6-8-10-18(3)19(4)17-21-11-13-23-15-16-24-14-12-22-20(5)9-7-2/h6,20-22H,1,7-17H2,2-5H3.
What are the key properties of 2,3-dimethyl-N-[2-[2-[2-(pentan-2-ylamino)ethoxy]ethoxy]ethyl]hepta-2,6-dien-1-amine?
2,3-dimethyl-N-[2-[2-[2-(pentan-2-ylamino)ethoxy]ethoxy]ethyl]hepta-2,6-dien-1-amine has a molecular weight of 340.55 g/mol, XLogP of 3.69, 17 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-N-[2-[2-[2-(pentan-2-ylamino)ethoxy]ethoxy]ethyl]hepta-2,6-dien-1-amine is sourced from PubChem (CID 123659684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).