3-methyl-N-[2-[2-[2-(2-methylprop-2-enoxy)ethoxy]ethoxy]ethyl]but-1-en-2-amine

C15H29NO3 — CID 153390581

IUPAC3-methyl-N-[2-[2-[2-(2-methylprop-2-enoxy)ethoxy]ethoxy]ethyl]but-1-en-2-amine
SMILESC=C(C)COCCOCCOCCNC(=C)C(C)C
InChIInChI=1S/C15H29NO3/c1-13(2)12-19-11-10-18-9-8-17-7-6-16-15(5)14(3)4/h14,16H,1,5-12H2,2-4H3
InChIKeyZOPOEIGPFCZHRL-UHFFFAOYSA-N
MW271.40 g/mol
LogP2.37
Rot. Bonds13

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

3-methyl-N-[2-[2-[2-(2-methylprop-2-enoxy)ethoxy]ethoxy]ethyl]but-1-en-2-amine (PubChem CID 153390581) has the molecular formula C15H29NO3 and a molecular weight of 271.40 g/mol. Its IUPAC name is 3-methyl-N-[2-[2-[2-(2-methylprop-2-enoxy)ethoxy]ethoxy]ethyl]but-1-en-2-amine.

Molecular Properties

Compound Name3-methyl-N-[2-[2-[2-(2-methylprop-2-enoxy)ethoxy]ethoxy]ethyl]but-1-en-2-amine
PubChem CID153390581
Molecular FormulaC15H29NO3
Molecular Weight271.40 g/mol
Exact Mass271.21
IUPAC Name3-methyl-N-[2-[2-[2-(2-methylprop-2-enoxy)ethoxy]ethoxy]ethyl]but-1-en-2-amine
SMILESC=C(C)COCCOCCOCCNC(=C)C(C)C
InChIInChI=1S/C15H29NO3/c1-13(2)12-19-11-10-18-9-8-17-7-6-16-15(5)14(3)4/h14,16H,1,5-12H2,2-4H3
InChIKeyZOPOEIGPFCZHRL-UHFFFAOYSA-N
XLogP2.37
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 52.37
H-Bond Donors ≤ 51
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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Related Compounds

N-[3-(2-propoxyethoxy)prop-1-en-2-yl]cyclopropanamine
CID 124188935
2-methyl-N-(3-propoxyprop-1-en-2-yl)propan-1-amine
CID 132050825
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-3,3-dimethylhexa-1,4,5-trien-2-amine
CID 132237587
3-methyl-N-[2-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]ethyl]but-1-en-2-amine
CID 142615709
N-[3-(2-methylprop-2-enoxy)prop-1-en-2-yl]butan-1-amine
CID 146259276
ethane;N-[2-[2-(ethylamino)prop-2-enoxy]ethyl]-2-methylpropan-1-amine
CID 153390650
N-[2-[2-(ethylamino)prop-2-enoxy]ethyl]-2-methylpropan-1-amine
CID 153390651
N-(3-methoxyprop-1-en-2-yl)-2-methylpropan-1-amine
CID 156336589
(3S)-3-methoxy-N-(2-methylpropyl)but-1-en-2-amine
CID 156351485
N-[2-[2-(ethylamino)ethoxy]ethyl]-3-methylbut-1-en-2-amine
CID 156523554
N-[2-(2-butoxyethoxy)ethyl]-3-methylbut-1-en-2-amine;ethane
CID 156795257
3-methyl-N-[2-(3-methylbuta-1,3-dien-2-yloxy)ethyl]but-1-en-2-amine
CID 158134371

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-[2-[2-(2-methylprop-2-enoxy)ethoxy]ethoxy]ethyl]but-1-en-2-amine?
The IUPAC name of 3-methyl-N-[2-[2-[2-(2-methylprop-2-enoxy)ethoxy]ethoxy]ethyl]but-1-en-2-amine (CID 153390581) is 3-methyl-N-[2-[2-[2-(2-methylprop-2-enoxy)ethoxy]ethoxy]ethyl]but-1-en-2-amine.
What is the SMILES notation for 3-methyl-N-[2-[2-[2-(2-methylprop-2-enoxy)ethoxy]ethoxy]ethyl]but-1-en-2-amine?
The canonical SMILES for 3-methyl-N-[2-[2-[2-(2-methylprop-2-enoxy)ethoxy]ethoxy]ethyl]but-1-en-2-amine is C=C(C)COCCOCCOCCNC(=C)C(C)C.
What is the InChIKey of 3-methyl-N-[2-[2-[2-(2-methylprop-2-enoxy)ethoxy]ethoxy]ethyl]but-1-en-2-amine?
The InChIKey is ZOPOEIGPFCZHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO3/c1-13(2)12-19-11-10-18-9-8-17-7-6-16-15(5)14(3)4/h14,16H,1,5-12H2,2-4H3.
What are the key properties of 3-methyl-N-[2-[2-[2-(2-methylprop-2-enoxy)ethoxy]ethoxy]ethyl]but-1-en-2-amine?
3-methyl-N-[2-[2-[2-(2-methylprop-2-enoxy)ethoxy]ethoxy]ethyl]but-1-en-2-amine has a molecular weight of 271.40 g/mol, XLogP of 2.37, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-[2-[2-(2-methylprop-2-enoxy)ethoxy]ethoxy]ethyl]but-1-en-2-amine is sourced from PubChem (CID 153390581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).