ethane;N-[2-[2-(ethylamino)ethoxy]ethyl]-N,3-dimethylbut-1-en-2-amine

C14H32N2O — CID 156795064

IUPACethane;N-[2-[2-(ethylamino)ethoxy]ethyl]-N,3-dimethylbut-1-en-2-amine
SMILESC=C(C(C)C)N(C)CCOCCNCC.CC
InChIInChI=1S/C12H26N2O.C2H6/c1-6-13-7-9-15-10-8-14(5)12(4)11(2)3;1-2/h11,13H,4,6-10H2,1-3,5H3;1-2H3
InChIKeySGYNNGXNFGBCMF-UHFFFAOYSA-N
MW244.42 g/mol
LogP2.74
Rot. Bonds9

About ethane;N-[2-[2-(ethylamino)ethoxy]ethyl]-N,3-dimethylbut-1-en-2-amine

ethane;N-[2-[2-(ethylamino)ethoxy]ethyl]-N,3-dimethylbut-1-en-2-amine (PubChem CID 156795064) has the molecular formula C14H32N2O and a molecular weight of 244.42 g/mol. Its IUPAC name is ethane;N-[2-[2-(ethylamino)ethoxy]ethyl]-N,3-dimethylbut-1-en-2-amine.

Molecular Properties

Compound Nameethane;N-[2-[2-(ethylamino)ethoxy]ethyl]-N,3-dimethylbut-1-en-2-amine
PubChem CID156795064
Molecular FormulaC14H32N2O
Molecular Weight244.42 g/mol
Exact Mass244.25
IUPAC Nameethane;N-[2-[2-(ethylamino)ethoxy]ethyl]-N,3-dimethylbut-1-en-2-amine
SMILESC=C(C(C)C)N(C)CCOCCNCC.CC
InChIInChI=1S/C12H26N2O.C2H6/c1-6-13-7-9-15-10-8-14(5)12(4)11(2)3;1-2/h11,13H,4,6-10H2,1-3,5H3;1-2H3
InChIKeySGYNNGXNFGBCMF-UHFFFAOYSA-N
XLogP2.74
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.42
LogP ≤ 52.74
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-methyl-5-morpholin-4-ylpent-1-en-2-amine
CID 58989736
(Z)-N-but-1-en-2-yl-3-methyl-2-morpholin-4-ylbut-1-en-1-amine
CID 126584067
N-(2-methoxyethyl)-3,3-dimethylbut-1-en-2-amine
CID 130397232
N-(2-propoxyethyl)pent-1-en-2-amine
CID 138501964
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
4-N-(2-ethoxyethyl)pent-4-ene-1,4-diamine;propane
CID 143826307
N'-(3,3-dimethylbut-1-en-2-yl)ethane-1,2-diamine;2-methylpropane;4-prop-1-en-2-ylmorpholine
CID 144855148
N-(2-propoxyethyl)but-1-en-2-amine
CID 149018825
N-[[(2R)-4-butylmorpholin-2-yl]methyl]-3-methylbut-1-en-2-amine
CID 153390617
ethane;N-[2-[2-(ethylamino)prop-2-enoxy]ethyl]-2-methylpropan-1-amine
CID 153390650

Frequently Asked Questions

What is the IUPAC name of ethane;N-[2-[2-(ethylamino)ethoxy]ethyl]-N,3-dimethylbut-1-en-2-amine?
The IUPAC name of ethane;N-[2-[2-(ethylamino)ethoxy]ethyl]-N,3-dimethylbut-1-en-2-amine (CID 156795064) is ethane;N-[2-[2-(ethylamino)ethoxy]ethyl]-N,3-dimethylbut-1-en-2-amine.
What is the SMILES notation for ethane;N-[2-[2-(ethylamino)ethoxy]ethyl]-N,3-dimethylbut-1-en-2-amine?
The canonical SMILES for ethane;N-[2-[2-(ethylamino)ethoxy]ethyl]-N,3-dimethylbut-1-en-2-amine is C=C(C(C)C)N(C)CCOCCNCC.CC.
What is the InChIKey of ethane;N-[2-[2-(ethylamino)ethoxy]ethyl]-N,3-dimethylbut-1-en-2-amine?
The InChIKey is SGYNNGXNFGBCMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2O.C2H6/c1-6-13-7-9-15-10-8-14(5)12(4)11(2)3;1-2/h11,13H,4,6-10H2,1-3,5H3;1-2H3.
What are the key properties of ethane;N-[2-[2-(ethylamino)ethoxy]ethyl]-N,3-dimethylbut-1-en-2-amine?
ethane;N-[2-[2-(ethylamino)ethoxy]ethyl]-N,3-dimethylbut-1-en-2-amine has a molecular weight of 244.42 g/mol, XLogP of 2.74, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[2-[2-(ethylamino)ethoxy]ethyl]-N,3-dimethylbut-1-en-2-amine is sourced from PubChem (CID 156795064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).