N-[2-[2-[6-[2-[2-(ethylamino)ethoxy]ethyl]-2,6-diazaspiro[3.3]heptan-2-yl]ethoxy]ethyl]-2-methylpropan-1-amine

C19H40N4O2 — CID 142623137

IUPACN-[2-[2-[6-[2-[2-(ethylamino)ethoxy]ethyl]-2,6-diazaspiro[3.3]heptan-2-yl]ethoxy]ethyl]-2-methylpropan-1-amine
SMILESCCNCCOCCN1CC2(C1)CN(CCOCCNCC(C)C)C2
InChIInChI=1S/C19H40N4O2/c1-4-20-5-9-24-11-7-22-14-19(15-22)16-23(17-19)8-12-25-10-6-21-13-18(2)3/h18,20-21H,4-17H2,1-3H3
InChIKeyCNGQDIHJLFBNOB-UHFFFAOYSA-N
MW356.56 g/mol
LogP0.49
Rot. Bonds15

About N-[2-[2-[6-[2-[2-(ethylamino)ethoxy]ethyl]-2,6-diazaspiro[3.3]heptan-2-yl]ethoxy]ethyl]-2-methylpropan-1-amine

N-[2-[2-[6-[2-[2-(ethylamino)ethoxy]ethyl]-2,6-diazaspiro[3.3]heptan-2-yl]ethoxy]ethyl]-2-methylpropan-1-amine (PubChem CID 142623137) has the molecular formula C19H40N4O2 and a molecular weight of 356.56 g/mol. Its IUPAC name is N-[2-[2-[6-[2-[2-(ethylamino)ethoxy]ethyl]-2,6-diazaspiro[3.3]heptan-2-yl]ethoxy]ethyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[2-[2-[6-[2-[2-(ethylamino)ethoxy]ethyl]-2,6-diazaspiro[3.3]heptan-2-yl]ethoxy]ethyl]-2-methylpropan-1-amine
PubChem CID142623137
Molecular FormulaC19H40N4O2
Molecular Weight356.56 g/mol
Exact Mass356.32
IUPAC NameN-[2-[2-[6-[2-[2-(ethylamino)ethoxy]ethyl]-2,6-diazaspiro[3.3]heptan-2-yl]ethoxy]ethyl]-2-methylpropan-1-amine
SMILESCCNCCOCCN1CC2(C1)CN(CCOCCNCC(C)C)C2
InChIInChI=1S/C19H40N4O2/c1-4-20-5-9-24-11-7-22-14-19(15-22)16-23(17-19)8-12-25-10-6-21-13-18(2)3/h18,20-21H,4-17H2,1-3H3
InChIKeyCNGQDIHJLFBNOB-UHFFFAOYSA-N
XLogP0.49
TPSA49.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.56
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-[2-[6-[2-[2-(ethylamino)ethoxy]ethyl]-2,6-diazaspiro[3.3]heptan-2-yl]ethoxy]ethyl]-2-methylpropan-1-amine?
The IUPAC name of N-[2-[2-[6-[2-[2-(ethylamino)ethoxy]ethyl]-2,6-diazaspiro[3.3]heptan-2-yl]ethoxy]ethyl]-2-methylpropan-1-amine (CID 142623137) is N-[2-[2-[6-[2-[2-(ethylamino)ethoxy]ethyl]-2,6-diazaspiro[3.3]heptan-2-yl]ethoxy]ethyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[2-[2-[6-[2-[2-(ethylamino)ethoxy]ethyl]-2,6-diazaspiro[3.3]heptan-2-yl]ethoxy]ethyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[2-[2-[6-[2-[2-(ethylamino)ethoxy]ethyl]-2,6-diazaspiro[3.3]heptan-2-yl]ethoxy]ethyl]-2-methylpropan-1-amine is CCNCCOCCN1CC2(C1)CN(CCOCCNCC(C)C)C2.
What is the InChIKey of N-[2-[2-[6-[2-[2-(ethylamino)ethoxy]ethyl]-2,6-diazaspiro[3.3]heptan-2-yl]ethoxy]ethyl]-2-methylpropan-1-amine?
The InChIKey is CNGQDIHJLFBNOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40N4O2/c1-4-20-5-9-24-11-7-22-14-19(15-22)16-23(17-19)8-12-25-10-6-21-13-18(2)3/h18,20-21H,4-17H2,1-3H3.
What are the key properties of N-[2-[2-[6-[2-[2-(ethylamino)ethoxy]ethyl]-2,6-diazaspiro[3.3]heptan-2-yl]ethoxy]ethyl]-2-methylpropan-1-amine?
N-[2-[2-[6-[2-[2-(ethylamino)ethoxy]ethyl]-2,6-diazaspiro[3.3]heptan-2-yl]ethoxy]ethyl]-2-methylpropan-1-amine has a molecular weight of 356.56 g/mol, XLogP of 0.49, 15 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-[6-[2-[2-(ethylamino)ethoxy]ethyl]-2,6-diazaspiro[3.3]heptan-2-yl]ethoxy]ethyl]-2-methylpropan-1-amine is sourced from PubChem (CID 142623137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).