ethane;(Z)-N-ethyl-3-methylpent-2-en-2-amine

C10H23N — CID 142111905

IUPACethane;(Z)-N-ethyl-3-methylpent-2-en-2-amine
SMILESCC.CCN/C(C)=C(/C)CC
InChIInChI=1S/C8H17N.C2H6/c1-5-7(3)8(4)9-6-2;1-2/h9H,5-6H2,1-4H3;1-2H3/b8-7-;
InChIKeyBCELBVDRLNWTRP-CFYXSCKTSA-N
MW157.30 g/mol
LogP3.33
Rot. Bonds3

About ethane;(Z)-N-ethyl-3-methylpent-2-en-2-amine

ethane;(Z)-N-ethyl-3-methylpent-2-en-2-amine (PubChem CID 142111905) has the molecular formula C10H23N and a molecular weight of 157.30 g/mol. Its IUPAC name is ethane;(Z)-N-ethyl-3-methylpent-2-en-2-amine.

Molecular Properties

Compound Nameethane;(Z)-N-ethyl-3-methylpent-2-en-2-amine
PubChem CID142111905
Molecular FormulaC10H23N
Molecular Weight157.30 g/mol
Exact Mass157.18
IUPAC Nameethane;(Z)-N-ethyl-3-methylpent-2-en-2-amine
SMILESCC.CCN/C(C)=C(/C)CC
InChIInChI=1S/C8H17N.C2H6/c1-5-7(3)8(4)9-6-2;1-2/h9H,5-6H2,1-4H3;1-2H3/b8-7-;
InChIKeyBCELBVDRLNWTRP-CFYXSCKTSA-N
XLogP3.33
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.30
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-N-ethyl-3-methylpent-2-en-2-amine?
The IUPAC name of ethane;(Z)-N-ethyl-3-methylpent-2-en-2-amine (CID 142111905) is ethane;(Z)-N-ethyl-3-methylpent-2-en-2-amine.
What is the SMILES notation for ethane;(Z)-N-ethyl-3-methylpent-2-en-2-amine?
The canonical SMILES for ethane;(Z)-N-ethyl-3-methylpent-2-en-2-amine is CC.CCN/C(C)=C(/C)CC.
What is the InChIKey of ethane;(Z)-N-ethyl-3-methylpent-2-en-2-amine?
The InChIKey is BCELBVDRLNWTRP-CFYXSCKTSA-N. The full InChI is InChI=1S/C8H17N.C2H6/c1-5-7(3)8(4)9-6-2;1-2/h9H,5-6H2,1-4H3;1-2H3/b8-7-;.
What are the key properties of ethane;(Z)-N-ethyl-3-methylpent-2-en-2-amine?
ethane;(Z)-N-ethyl-3-methylpent-2-en-2-amine has a molecular weight of 157.30 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-N-ethyl-3-methylpent-2-en-2-amine is sourced from PubChem (CID 142111905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).