ethane;N-(3-ethoxy-3-methylbutyl)-3,3-diethylpent-1-en-2-amine

C20H45NO — CID 145216621

IUPACethane;N-(3-ethoxy-3-methylbutyl)-3,3-diethylpent-1-en-2-amine
SMILESC=C(NCCC(C)(C)OCC)C(CC)(CC)CC.CC.CC
InChIInChI=1S/C16H33NO.2C2H6/c1-8-16(9-2,10-3)14(5)17-13-12-15(6,7)18-11-4;2*1-2/h17H,5,8-13H2,1-4,6-7H3;2*1-2H3
InChIKeyMQUKZOFJZWANFY-UHFFFAOYSA-N
MW315.59 g/mol
LogP6.56
Rot. Bonds10

About ethane;N-(3-ethoxy-3-methylbutyl)-3,3-diethylpent-1-en-2-amine

ethane;N-(3-ethoxy-3-methylbutyl)-3,3-diethylpent-1-en-2-amine (PubChem CID 145216621) has the molecular formula C20H45NO and a molecular weight of 315.59 g/mol. Its IUPAC name is ethane;N-(3-ethoxy-3-methylbutyl)-3,3-diethylpent-1-en-2-amine.

Molecular Properties

Compound Nameethane;N-(3-ethoxy-3-methylbutyl)-3,3-diethylpent-1-en-2-amine
PubChem CID145216621
Molecular FormulaC20H45NO
Molecular Weight315.59 g/mol
Exact Mass315.35
IUPAC Nameethane;N-(3-ethoxy-3-methylbutyl)-3,3-diethylpent-1-en-2-amine
SMILESC=C(NCCC(C)(C)OCC)C(CC)(CC)CC.CC.CC
InChIInChI=1S/C16H33NO.2C2H6/c1-8-16(9-2,10-3)14(5)17-13-12-15(6,7)18-11-4;2*1-2/h17H,5,8-13H2,1-4,6-7H3;2*1-2H3
InChIKeyMQUKZOFJZWANFY-UHFFFAOYSA-N
XLogP6.56
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500315.59
LogP ≤ 56.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;N-(3-ethoxy-3-methylbutyl)-3,3-diethylpent-1-en-2-amine?
The IUPAC name of ethane;N-(3-ethoxy-3-methylbutyl)-3,3-diethylpent-1-en-2-amine (CID 145216621) is ethane;N-(3-ethoxy-3-methylbutyl)-3,3-diethylpent-1-en-2-amine.
What is the SMILES notation for ethane;N-(3-ethoxy-3-methylbutyl)-3,3-diethylpent-1-en-2-amine?
The canonical SMILES for ethane;N-(3-ethoxy-3-methylbutyl)-3,3-diethylpent-1-en-2-amine is C=C(NCCC(C)(C)OCC)C(CC)(CC)CC.CC.CC.
What is the InChIKey of ethane;N-(3-ethoxy-3-methylbutyl)-3,3-diethylpent-1-en-2-amine?
The InChIKey is MQUKZOFJZWANFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO.2C2H6/c1-8-16(9-2,10-3)14(5)17-13-12-15(6,7)18-11-4;2*1-2/h17H,5,8-13H2,1-4,6-7H3;2*1-2H3.
What are the key properties of ethane;N-(3-ethoxy-3-methylbutyl)-3,3-diethylpent-1-en-2-amine?
ethane;N-(3-ethoxy-3-methylbutyl)-3,3-diethylpent-1-en-2-amine has a molecular weight of 315.59 g/mol, XLogP of 6.56, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-(3-ethoxy-3-methylbutyl)-3,3-diethylpent-1-en-2-amine is sourced from PubChem (CID 145216621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).