N-[2-(2-butoxyethoxy)ethyl]-3-methylbut-1-en-2-amine;ethane

C15H33NO2 — CID 156795257

IUPACN-[2-(2-butoxyethoxy)ethyl]-3-methylbut-1-en-2-amine;ethane
SMILESC=C(NCCOCCOCCCC)C(C)C.CC
InChIInChI=1S/C13H27NO2.C2H6/c1-5-6-8-15-10-11-16-9-7-14-13(4)12(2)3;1-2/h12,14H,4-11H2,1-3H3;1-2H3
InChIKeyMBGLSFPYCOCFIN-UHFFFAOYSA-N
MW259.43 g/mol
LogP3.61
Rot. Bonds11

About N-[2-(2-butoxyethoxy)ethyl]-3-methylbut-1-en-2-amine;ethane

N-[2-(2-butoxyethoxy)ethyl]-3-methylbut-1-en-2-amine;ethane (PubChem CID 156795257) has the molecular formula C15H33NO2 and a molecular weight of 259.43 g/mol. Its IUPAC name is N-[2-(2-butoxyethoxy)ethyl]-3-methylbut-1-en-2-amine;ethane.

Molecular Properties

Compound NameN-[2-(2-butoxyethoxy)ethyl]-3-methylbut-1-en-2-amine;ethane
PubChem CID156795257
Molecular FormulaC15H33NO2
Molecular Weight259.43 g/mol
Exact Mass259.25
IUPAC NameN-[2-(2-butoxyethoxy)ethyl]-3-methylbut-1-en-2-amine;ethane
SMILESC=C(NCCOCCOCCCC)C(C)C.CC
InChIInChI=1S/C13H27NO2.C2H6/c1-5-6-8-15-10-11-16-9-7-14-13(4)12(2)3;1-2/h12,14H,4-11H2,1-3H3;1-2H3
InChIKeyMBGLSFPYCOCFIN-UHFFFAOYSA-N
XLogP3.61
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.43
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-but-1-en-2-yl-4-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]-2-fluorobutan-1-amine
CID 156795222
N-[2-fluoro-4-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]butyl]-3-methylbut-1-en-2-amine
CID 168259077
N-[4-[2-[2-[2-(ethylamino)ethoxy]ethoxy]ethoxy]-2-fluorobutyl]-3-methylbut-1-en-2-amine
CID 169811455
N-[2-fluoro-3-[2-[2-[2-(propan-2-ylamino)ethoxy]ethoxy]ethoxy]propyl]-3-methylbut-1-en-2-amine
CID 168259441
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-[2-[2-(ethylamino)ethoxy]ethyl]-N,3-dimethylbut-1-en-2-amine
CID 142615767
3-methyl-N-[2-[2-(propan-2-ylamino)ethoxy]ethyl]but-1-en-2-amine
CID 142616354
N-(2-propoxyethyl)but-1-en-2-amine
CID 149018825
3-methyl-N-[2-[2-[2-(2-methylprop-2-enoxy)ethoxy]ethoxy]ethyl]but-1-en-2-amine
CID 153390581
N-[2-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]ethyl]-4-methylhex-1-en-2-amine
CID 155184640
3-methyl-N-[2-[2-(2-pentoxyethoxy)ethoxy]ethyl]but-1-en-2-amine
CID 155455125

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-butoxyethoxy)ethyl]-3-methylbut-1-en-2-amine;ethane?
The IUPAC name of N-[2-(2-butoxyethoxy)ethyl]-3-methylbut-1-en-2-amine;ethane (CID 156795257) is N-[2-(2-butoxyethoxy)ethyl]-3-methylbut-1-en-2-amine;ethane.
What is the SMILES notation for N-[2-(2-butoxyethoxy)ethyl]-3-methylbut-1-en-2-amine;ethane?
The canonical SMILES for N-[2-(2-butoxyethoxy)ethyl]-3-methylbut-1-en-2-amine;ethane is C=C(NCCOCCOCCCC)C(C)C.CC.
What is the InChIKey of N-[2-(2-butoxyethoxy)ethyl]-3-methylbut-1-en-2-amine;ethane?
The InChIKey is MBGLSFPYCOCFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2.C2H6/c1-5-6-8-15-10-11-16-9-7-14-13(4)12(2)3;1-2/h12,14H,4-11H2,1-3H3;1-2H3.
What are the key properties of N-[2-(2-butoxyethoxy)ethyl]-3-methylbut-1-en-2-amine;ethane?
N-[2-(2-butoxyethoxy)ethyl]-3-methylbut-1-en-2-amine;ethane has a molecular weight of 259.43 g/mol, XLogP of 3.61, 11 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-butoxyethoxy)ethyl]-3-methylbut-1-en-2-amine;ethane is sourced from PubChem (CID 156795257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).