3-methyl-N-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethyl]but-1-en-2-amine

C16H34N2O3 — CID 142615709

IUPAC3-methyl-N-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethyl]but-1-en-2-amine
SMILESC=C(NCCOCCOCCOCCNC(C)C)C(C)C
InChIInChI=1S/C16H34N2O3/c1-14(2)16(5)18-7-9-20-11-13-21-12-10-19-8-6-17-15(3)4/h14-15,17-18H,5-13H2,1-4H3
InChIKeyYKJPOLSPHDUSSF-UHFFFAOYSA-N
MW302.46 g/mol
LogP1.79
Rot. Bonds15

About 3-methyl-N-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethyl]but-1-en-2-amine

3-methyl-N-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethyl]but-1-en-2-amine (PubChem CID 142615709) has the molecular formula C16H34N2O3 and a molecular weight of 302.46 g/mol. Its IUPAC name is 3-methyl-N-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethyl]but-1-en-2-amine.

Molecular Properties

Compound Name3-methyl-N-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethyl]but-1-en-2-amine
PubChem CID142615709
Molecular FormulaC16H34N2O3
Molecular Weight302.46 g/mol
Exact Mass302.26
IUPAC Name3-methyl-N-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethyl]but-1-en-2-amine
SMILESC=C(NCCOCCOCCOCCNC(C)C)C(C)C
InChIInChI=1S/C16H34N2O3/c1-14(2)16(5)18-7-9-20-11-13-21-12-10-19-8-6-17-15(3)4/h14-15,17-18H,5-13H2,1-4H3
InChIKeyYKJPOLSPHDUSSF-UHFFFAOYSA-N
XLogP1.79
TPSA51.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds15
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 3-methyl-N-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethyl]but-1-en-2-amine?
The IUPAC name of 3-methyl-N-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethyl]but-1-en-2-amine (CID 142615709) is 3-methyl-N-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethyl]but-1-en-2-amine.
What is the SMILES notation for 3-methyl-N-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethyl]but-1-en-2-amine?
The canonical SMILES for 3-methyl-N-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethyl]but-1-en-2-amine is C=C(NCCOCCOCCOCCNC(C)C)C(C)C.
What is the InChIKey of 3-methyl-N-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethyl]but-1-en-2-amine?
The InChIKey is YKJPOLSPHDUSSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2O3/c1-14(2)16(5)18-7-9-20-11-13-21-12-10-19-8-6-17-15(3)4/h14-15,17-18H,5-13H2,1-4H3.
What are the key properties of 3-methyl-N-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethyl]but-1-en-2-amine?
3-methyl-N-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethyl]but-1-en-2-amine has a molecular weight of 302.46 g/mol, XLogP of 1.79, 15 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethyl]but-1-en-2-amine is sourced from PubChem (CID 142615709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).