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

C12H26N2O — CID 142616354

IUPAC3-methyl-N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]but-1-en-2-amine
SMILESC=C(NCCOCCNC(C)C)C(C)C
InChIInChI=1S/C12H26N2O/c1-10(2)12(5)14-7-9-15-8-6-13-11(3)4/h10-11,13-14H,5-9H2,1-4H3
InChIKeyQHHZMVHXBAIHMS-UHFFFAOYSA-N
MW214.35 g/mol
LogP1.76
Rot. Bonds9

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

3-methyl-N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]but-1-en-2-amine (PubChem CID 142616354) has the molecular formula C12H26N2O and a molecular weight of 214.35 g/mol. Its IUPAC name is 3-methyl-N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]but-1-en-2-amine.

Molecular Properties

Compound Name3-methyl-N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]but-1-en-2-amine
PubChem CID142616354
Molecular FormulaC12H26N2O
Molecular Weight214.35 g/mol
Exact Mass214.20
IUPAC Name3-methyl-N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]but-1-en-2-amine
SMILESC=C(NCCOCCNC(C)C)C(C)C
InChIInChI=1S/C12H26N2O/c1-10(2)12(5)14-7-9-15-8-6-13-11(3)4/h10-11,13-14H,5-9H2,1-4H3
InChIKeyQHHZMVHXBAIHMS-UHFFFAOYSA-N
XLogP1.76
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-(propan-2-ylamino)ethoxy]ethyl]but-1-en-2-amine?
The IUPAC name of 3-methyl-N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]but-1-en-2-amine (CID 142616354) is 3-methyl-N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]but-1-en-2-amine.
What is the SMILES notation for 3-methyl-N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]but-1-en-2-amine?
The canonical SMILES for 3-methyl-N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]but-1-en-2-amine is C=C(NCCOCCNC(C)C)C(C)C.
What is the InChIKey of 3-methyl-N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]but-1-en-2-amine?
The InChIKey is QHHZMVHXBAIHMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O/c1-10(2)12(5)14-7-9-15-8-6-13-11(3)4/h10-11,13-14H,5-9H2,1-4H3.
What are the key properties of 3-methyl-N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]but-1-en-2-amine?
3-methyl-N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]but-1-en-2-amine has a molecular weight of 214.35 g/mol, XLogP of 1.76, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]but-1-en-2-amine is sourced from PubChem (CID 142616354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).