(Z)-N-butyl-2-methyl-3-(methylideneamino)prop-2-en-1-amine;ethane

C11H24N2 — CID 143019513

IUPAC(Z)-N-butyl-2-methyl-3-(methylideneamino)prop-2-en-1-amine;ethane
SMILESC=N/C=C(/C)CNCCCC.CC
InChIInChI=1S/C9H18N2.C2H6/c1-4-5-6-11-8-9(2)7-10-3;1-2/h7,11H,3-6,8H2,1-2H3;1-2H3/b9-7-;
InChIKeySPXHEKXZXKZCND-VILQZVERSA-N
MW184.33 g/mol
LogP3.01
Rot. Bonds6

About (Z)-N-butyl-2-methyl-3-(methylideneamino)prop-2-en-1-amine;ethane

(Z)-N-butyl-2-methyl-3-(methylideneamino)prop-2-en-1-amine;ethane (PubChem CID 143019513) has the molecular formula C11H24N2 and a molecular weight of 184.33 g/mol. Its IUPAC name is (Z)-N-butyl-2-methyl-3-(methylideneamino)prop-2-en-1-amine;ethane.

Molecular Properties

Compound Name(Z)-N-butyl-2-methyl-3-(methylideneamino)prop-2-en-1-amine;ethane
PubChem CID143019513
Molecular FormulaC11H24N2
Molecular Weight184.33 g/mol
Exact Mass184.19
IUPAC Name(Z)-N-butyl-2-methyl-3-(methylideneamino)prop-2-en-1-amine;ethane
SMILESC=N/C=C(/C)CNCCCC.CC
InChIInChI=1S/C9H18N2.C2H6/c1-4-5-6-11-8-9(2)7-10-3;1-2/h7,11H,3-6,8H2,1-2H3;1-2H3/b9-7-;
InChIKeySPXHEKXZXKZCND-VILQZVERSA-N
XLogP3.01
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.33
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N-butyl-2-methyl-3-(methylideneamino)prop-2-en-1-amine;ethane?
The IUPAC name of (Z)-N-butyl-2-methyl-3-(methylideneamino)prop-2-en-1-amine;ethane (CID 143019513) is (Z)-N-butyl-2-methyl-3-(methylideneamino)prop-2-en-1-amine;ethane.
What is the SMILES notation for (Z)-N-butyl-2-methyl-3-(methylideneamino)prop-2-en-1-amine;ethane?
The canonical SMILES for (Z)-N-butyl-2-methyl-3-(methylideneamino)prop-2-en-1-amine;ethane is C=N/C=C(/C)CNCCCC.CC.
What is the InChIKey of (Z)-N-butyl-2-methyl-3-(methylideneamino)prop-2-en-1-amine;ethane?
The InChIKey is SPXHEKXZXKZCND-VILQZVERSA-N. The full InChI is InChI=1S/C9H18N2.C2H6/c1-4-5-6-11-8-9(2)7-10-3;1-2/h7,11H,3-6,8H2,1-2H3;1-2H3/b9-7-;.
What are the key properties of (Z)-N-butyl-2-methyl-3-(methylideneamino)prop-2-en-1-amine;ethane?
(Z)-N-butyl-2-methyl-3-(methylideneamino)prop-2-en-1-amine;ethane has a molecular weight of 184.33 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-butyl-2-methyl-3-(methylideneamino)prop-2-en-1-amine;ethane is sourced from PubChem (CID 143019513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).