(Z)-N-(2-ethyl-2-methylbutyl)-N-(methylideneamino)oct-2-en-3-amine

C16H32N2 — CID 142360042

IUPAC(Z)-N-(2-ethyl-2-methylbutyl)-N-(methylideneamino)oct-2-en-3-amine
SMILESC=NN(CC(C)(CC)CC)/C(=C\C)CCCCC
InChIInChI=1S/C16H32N2/c1-7-11-12-13-15(8-2)18(17-6)14-16(5,9-3)10-4/h8H,6-7,9-14H2,1-5H3/b15-8-
InChIKeyWIHBISJFZLEVND-NVNXTCNLSA-N
MW252.45 g/mol
LogP5.21
Rot. Bonds10

About (Z)-N-(2-ethyl-2-methylbutyl)-N-(methylideneamino)oct-2-en-3-amine

(Z)-N-(2-ethyl-2-methylbutyl)-N-(methylideneamino)oct-2-en-3-amine (PubChem CID 142360042) has the molecular formula C16H32N2 and a molecular weight of 252.45 g/mol. Its IUPAC name is (Z)-N-(2-ethyl-2-methylbutyl)-N-(methylideneamino)oct-2-en-3-amine.

Molecular Properties

Compound Name(Z)-N-(2-ethyl-2-methylbutyl)-N-(methylideneamino)oct-2-en-3-amine
PubChem CID142360042
Molecular FormulaC16H32N2
Molecular Weight252.45 g/mol
Exact Mass252.26
IUPAC Name(Z)-N-(2-ethyl-2-methylbutyl)-N-(methylideneamino)oct-2-en-3-amine
SMILESC=NN(CC(C)(CC)CC)/C(=C\C)CCCCC
InChIInChI=1S/C16H32N2/c1-7-11-12-13-15(8-2)18(17-6)14-16(5,9-3)10-4/h8H,6-7,9-14H2,1-5H3/b15-8-
InChIKeyWIHBISJFZLEVND-NVNXTCNLSA-N
XLogP5.21
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.45
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-(2-ethyl-2-methylbutyl)-N-(methylideneamino)oct-2-en-3-amine?
The IUPAC name of (Z)-N-(2-ethyl-2-methylbutyl)-N-(methylideneamino)oct-2-en-3-amine (CID 142360042) is (Z)-N-(2-ethyl-2-methylbutyl)-N-(methylideneamino)oct-2-en-3-amine.
What is the SMILES notation for (Z)-N-(2-ethyl-2-methylbutyl)-N-(methylideneamino)oct-2-en-3-amine?
The canonical SMILES for (Z)-N-(2-ethyl-2-methylbutyl)-N-(methylideneamino)oct-2-en-3-amine is C=NN(CC(C)(CC)CC)/C(=C\C)CCCCC.
What is the InChIKey of (Z)-N-(2-ethyl-2-methylbutyl)-N-(methylideneamino)oct-2-en-3-amine?
The InChIKey is WIHBISJFZLEVND-NVNXTCNLSA-N. The full InChI is InChI=1S/C16H32N2/c1-7-11-12-13-15(8-2)18(17-6)14-16(5,9-3)10-4/h8H,6-7,9-14H2,1-5H3/b15-8-.
What are the key properties of (Z)-N-(2-ethyl-2-methylbutyl)-N-(methylideneamino)oct-2-en-3-amine?
(Z)-N-(2-ethyl-2-methylbutyl)-N-(methylideneamino)oct-2-en-3-amine has a molecular weight of 252.45 g/mol, XLogP of 5.21, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-(2-ethyl-2-methylbutyl)-N-(methylideneamino)oct-2-en-3-amine is sourced from PubChem (CID 142360042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).