(Z)-N-butyl-7-methyl-N-(methylideneamino)oct-2-en-3-amine

C14H28N2 — CID 126567882

IUPAC(Z)-N-butyl-7-methyl-N-(methylideneamino)oct-2-en-3-amine
SMILESC=NN(CCCC)/C(=C\C)CCCC(C)C
InChIInChI=1S/C14H28N2/c1-6-8-12-16(15-5)14(7-2)11-9-10-13(3)4/h7,13H,5-6,8-12H2,1-4H3/b14-7-
InChIKeyJXMGJZKXJQVLIB-AUWJEWJLSA-N
MW224.39 g/mol
LogP4.43
Rot. Bonds9

About (Z)-N-butyl-7-methyl-N-(methylideneamino)oct-2-en-3-amine

(Z)-N-butyl-7-methyl-N-(methylideneamino)oct-2-en-3-amine (PubChem CID 126567882) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is (Z)-N-butyl-7-methyl-N-(methylideneamino)oct-2-en-3-amine.

Molecular Properties

Compound Name(Z)-N-butyl-7-methyl-N-(methylideneamino)oct-2-en-3-amine
PubChem CID126567882
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name(Z)-N-butyl-7-methyl-N-(methylideneamino)oct-2-en-3-amine
SMILESC=NN(CCCC)/C(=C\C)CCCC(C)C
InChIInChI=1S/C14H28N2/c1-6-8-12-16(15-5)14(7-2)11-9-10-13(3)4/h7,13H,5-6,8-12H2,1-4H3/b14-7-
InChIKeyJXMGJZKXJQVLIB-AUWJEWJLSA-N
XLogP4.43
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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-butyl-7-methyl-N-(methylideneamino)oct-2-en-3-amine?
The IUPAC name of (Z)-N-butyl-7-methyl-N-(methylideneamino)oct-2-en-3-amine (CID 126567882) is (Z)-N-butyl-7-methyl-N-(methylideneamino)oct-2-en-3-amine.
What is the SMILES notation for (Z)-N-butyl-7-methyl-N-(methylideneamino)oct-2-en-3-amine?
The canonical SMILES for (Z)-N-butyl-7-methyl-N-(methylideneamino)oct-2-en-3-amine is C=NN(CCCC)/C(=C\C)CCCC(C)C.
What is the InChIKey of (Z)-N-butyl-7-methyl-N-(methylideneamino)oct-2-en-3-amine?
The InChIKey is JXMGJZKXJQVLIB-AUWJEWJLSA-N. The full InChI is InChI=1S/C14H28N2/c1-6-8-12-16(15-5)14(7-2)11-9-10-13(3)4/h7,13H,5-6,8-12H2,1-4H3/b14-7-.
What are the key properties of (Z)-N-butyl-7-methyl-N-(methylideneamino)oct-2-en-3-amine?
(Z)-N-butyl-7-methyl-N-(methylideneamino)oct-2-en-3-amine has a molecular weight of 224.39 g/mol, XLogP of 4.43, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-butyl-7-methyl-N-(methylideneamino)oct-2-en-3-amine is sourced from PubChem (CID 126567882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).