(Z)-3-ethyl-N,2,2,3-tetramethyl-N-propan-2-ylhex-4-en-1-amine

C15H31N — CID 155262275

IUPAC(Z)-3-ethyl-N,2,2,3-tetramethyl-N-propan-2-ylhex-4-en-1-amine
SMILESC/C=C\C(C)(CC)C(C)(C)CN(C)C(C)C
InChIInChI=1S/C15H31N/c1-9-11-15(7,10-2)14(5,6)12-16(8)13(3)4/h9,11,13H,10,12H2,1-8H3/b11-9-
InChIKeyRJFUNMYVLMVTII-LUAWRHEFSA-N
MW225.42 g/mol
LogP4.35
Rot. Bonds6

About (Z)-3-ethyl-N,2,2,3-tetramethyl-N-propan-2-ylhex-4-en-1-amine

(Z)-3-ethyl-N,2,2,3-tetramethyl-N-propan-2-ylhex-4-en-1-amine (PubChem CID 155262275) has the molecular formula C15H31N and a molecular weight of 225.42 g/mol. Its IUPAC name is (Z)-3-ethyl-N,2,2,3-tetramethyl-N-propan-2-ylhex-4-en-1-amine.

Molecular Properties

Compound Name(Z)-3-ethyl-N,2,2,3-tetramethyl-N-propan-2-ylhex-4-en-1-amine
PubChem CID155262275
Molecular FormulaC15H31N
Molecular Weight225.42 g/mol
Exact Mass225.25
IUPAC Name(Z)-3-ethyl-N,2,2,3-tetramethyl-N-propan-2-ylhex-4-en-1-amine
SMILESC/C=C\C(C)(CC)C(C)(C)CN(C)C(C)C
InChIInChI=1S/C15H31N/c1-9-11-15(7,10-2)14(5,6)12-16(8)13(3)4/h9,11,13H,10,12H2,1-8H3/b11-9-
InChIKeyRJFUNMYVLMVTII-LUAWRHEFSA-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)-3-ethyl-N,2,2,3-tetramethyl-N-propan-2-ylhex-4-en-1-amine?
The IUPAC name of (Z)-3-ethyl-N,2,2,3-tetramethyl-N-propan-2-ylhex-4-en-1-amine (CID 155262275) is (Z)-3-ethyl-N,2,2,3-tetramethyl-N-propan-2-ylhex-4-en-1-amine.
What is the SMILES notation for (Z)-3-ethyl-N,2,2,3-tetramethyl-N-propan-2-ylhex-4-en-1-amine?
The canonical SMILES for (Z)-3-ethyl-N,2,2,3-tetramethyl-N-propan-2-ylhex-4-en-1-amine is C/C=C\C(C)(CC)C(C)(C)CN(C)C(C)C.
What is the InChIKey of (Z)-3-ethyl-N,2,2,3-tetramethyl-N-propan-2-ylhex-4-en-1-amine?
The InChIKey is RJFUNMYVLMVTII-LUAWRHEFSA-N. The full InChI is InChI=1S/C15H31N/c1-9-11-15(7,10-2)14(5,6)12-16(8)13(3)4/h9,11,13H,10,12H2,1-8H3/b11-9-.
What are the key properties of (Z)-3-ethyl-N,2,2,3-tetramethyl-N-propan-2-ylhex-4-en-1-amine?
(Z)-3-ethyl-N,2,2,3-tetramethyl-N-propan-2-ylhex-4-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)-3-ethyl-N,2,2,3-tetramethyl-N-propan-2-ylhex-4-en-1-amine is sourced from PubChem (CID 155262275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).