(Z)-N-ethyl-N,3,4-trimethyl-2-(2-methylbutan-2-yl)pent-2-en-1-amine

C15H31N — CID 146209928

IUPAC(Z)-N-ethyl-N,3,4-trimethyl-2-(2-methylbutan-2-yl)pent-2-en-1-amine
SMILESCCN(C)C/C(=C(/C)C(C)C)C(C)(C)CC
InChIInChI=1S/C15H31N/c1-9-15(6,7)14(11-16(8)10-2)13(5)12(3)4/h12H,9-11H2,1-8H3/b14-13+
InChIKeyJNBGWFYGQXBKFH-BUHFOSPRSA-N
MW225.42 g/mol
LogP4.35
Rot. Bonds6

About (Z)-N-ethyl-N,3,4-trimethyl-2-(2-methylbutan-2-yl)pent-2-en-1-amine

(Z)-N-ethyl-N,3,4-trimethyl-2-(2-methylbutan-2-yl)pent-2-en-1-amine (PubChem CID 146209928) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is (Z)-N-ethyl-N,3,4-trimethyl-2-(2-methylbutan-2-yl)pent-2-en-1-amine.

Molecular Properties

Compound Name(Z)-N-ethyl-N,3,4-trimethyl-2-(2-methylbutan-2-yl)pent-2-en-1-amine
PubChem CID146209928
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC Name(Z)-N-ethyl-N,3,4-trimethyl-2-(2-methylbutan-2-yl)pent-2-en-1-amine
SMILESCCN(C)C/C(=C(/C)C(C)C)C(C)(C)CC
InChIInChI=1S/C15H31N/c1-9-15(6,7)14(11-16(8)10-2)13(5)12(3)4/h12H,9-11H2,1-8H3/b14-13+
InChIKeyJNBGWFYGQXBKFH-BUHFOSPRSA-N
XLogP4.35
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.42
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-ethyl-N,3,4-trimethyl-2-(2-methylbutan-2-yl)pent-2-en-1-amine?
The IUPAC name of (Z)-N-ethyl-N,3,4-trimethyl-2-(2-methylbutan-2-yl)pent-2-en-1-amine (CID 146209928) is (Z)-N-ethyl-N,3,4-trimethyl-2-(2-methylbutan-2-yl)pent-2-en-1-amine.
What is the SMILES notation for (Z)-N-ethyl-N,3,4-trimethyl-2-(2-methylbutan-2-yl)pent-2-en-1-amine?
The canonical SMILES for (Z)-N-ethyl-N,3,4-trimethyl-2-(2-methylbutan-2-yl)pent-2-en-1-amine is CCN(C)C/C(=C(/C)C(C)C)C(C)(C)CC.
What is the InChIKey of (Z)-N-ethyl-N,3,4-trimethyl-2-(2-methylbutan-2-yl)pent-2-en-1-amine?
The InChIKey is JNBGWFYGQXBKFH-BUHFOSPRSA-N. The full InChI is InChI=1S/C15H31N/c1-9-15(6,7)14(11-16(8)10-2)13(5)12(3)4/h12H,9-11H2,1-8H3/b14-13+.
What are the key properties of (Z)-N-ethyl-N,3,4-trimethyl-2-(2-methylbutan-2-yl)pent-2-en-1-amine?
(Z)-N-ethyl-N,3,4-trimethyl-2-(2-methylbutan-2-yl)pent-2-en-1-amine has a molecular weight of 225.42 g/mol, XLogP of 4.35, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-ethyl-N,3,4-trimethyl-2-(2-methylbutan-2-yl)pent-2-en-1-amine is sourced from PubChem (CID 146209928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).