(Z)-N,2-dimethyl-N-(2-methylpropyl)hex-3-en-3-amine;ethane

C14H31N — CID 142258336

IUPAC(Z)-N,2-dimethyl-N-(2-methylpropyl)hex-3-en-3-amine;ethane
SMILESCC.CC/C=C(/C(C)C)N(C)CC(C)C
InChIInChI=1S/C12H25N.C2H6/c1-7-8-12(11(4)5)13(6)9-10(2)3;1-2/h8,10-11H,7,9H2,1-6H3;1-2H3/b12-8-;
InChIKeyWKGYXRGFJMYXFW-JCTPKUEWSA-N
MW213.41 g/mol
LogP4.55
Rot. Bonds5

About (Z)-N,2-dimethyl-N-(2-methylpropyl)hex-3-en-3-amine;ethane

(Z)-N,2-dimethyl-N-(2-methylpropyl)hex-3-en-3-amine;ethane (PubChem CID 142258336) has the molecular formula C14H31N and a molecular weight of 213.41 g/mol. Its IUPAC name is (Z)-N,2-dimethyl-N-(2-methylpropyl)hex-3-en-3-amine;ethane.

Molecular Properties

Compound Name(Z)-N,2-dimethyl-N-(2-methylpropyl)hex-3-en-3-amine;ethane
PubChem CID142258336
Molecular FormulaC14H31N
Molecular Weight213.41 g/mol
Exact Mass213.25
IUPAC Name(Z)-N,2-dimethyl-N-(2-methylpropyl)hex-3-en-3-amine;ethane
SMILESCC.CC/C=C(/C(C)C)N(C)CC(C)C
InChIInChI=1S/C12H25N.C2H6/c1-7-8-12(11(4)5)13(6)9-10(2)3;1-2/h8,10-11H,7,9H2,1-6H3;1-2H3/b12-8-;
InChIKeyWKGYXRGFJMYXFW-JCTPKUEWSA-N
XLogP4.55
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.41
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (Z)-N,2-dimethyl-N-(2-methylpropyl)hex-3-en-3-amine;ethane?
The IUPAC name of (Z)-N,2-dimethyl-N-(2-methylpropyl)hex-3-en-3-amine;ethane (CID 142258336) is (Z)-N,2-dimethyl-N-(2-methylpropyl)hex-3-en-3-amine;ethane.
What is the SMILES notation for (Z)-N,2-dimethyl-N-(2-methylpropyl)hex-3-en-3-amine;ethane?
The canonical SMILES for (Z)-N,2-dimethyl-N-(2-methylpropyl)hex-3-en-3-amine;ethane is CC.CC/C=C(/C(C)C)N(C)CC(C)C.
What is the InChIKey of (Z)-N,2-dimethyl-N-(2-methylpropyl)hex-3-en-3-amine;ethane?
The InChIKey is WKGYXRGFJMYXFW-JCTPKUEWSA-N. The full InChI is InChI=1S/C12H25N.C2H6/c1-7-8-12(11(4)5)13(6)9-10(2)3;1-2/h8,10-11H,7,9H2,1-6H3;1-2H3/b12-8-;.
What are the key properties of (Z)-N,2-dimethyl-N-(2-methylpropyl)hex-3-en-3-amine;ethane?
(Z)-N,2-dimethyl-N-(2-methylpropyl)hex-3-en-3-amine;ethane has a molecular weight of 213.41 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,2-dimethyl-N-(2-methylpropyl)hex-3-en-3-amine;ethane is sourced from PubChem (CID 142258336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).