N-ethyl-4-methyl-3-(methylideneamino)pent-4-en-1-amine

C9H18N2 — CID 137427377

IUPACN-ethyl-4-methyl-3-(methylideneamino)pent-4-en-1-amine
SMILESC=NC(CCNCC)C(=C)C
InChIInChI=1S/C9H18N2/c1-5-11-7-6-9(10-4)8(2)3/h9,11H,2,4-7H2,1,3H3
InChIKeyLZIJUAQZLGYLIT-UHFFFAOYSA-N
MW154.26 g/mol
LogP1.63
Rot. Bonds6

About N-ethyl-4-methyl-3-(methylideneamino)pent-4-en-1-amine

N-ethyl-4-methyl-3-(methylideneamino)pent-4-en-1-amine (PubChem CID 137427377) has the molecular formula C9H18N2 and a molecular weight of 154.26 g/mol. Its IUPAC name is N-ethyl-4-methyl-3-(methylideneamino)pent-4-en-1-amine.

Molecular Properties

Compound NameN-ethyl-4-methyl-3-(methylideneamino)pent-4-en-1-amine
PubChem CID137427377
Molecular FormulaC9H18N2
Molecular Weight154.26 g/mol
Exact Mass154.15
IUPAC NameN-ethyl-4-methyl-3-(methylideneamino)pent-4-en-1-amine
SMILESC=NC(CCNCC)C(=C)C
InChIInChI=1S/C9H18N2/c1-5-11-7-6-9(10-4)8(2)3/h9,11H,2,4-7H2,1,3H3
InChIKeyLZIJUAQZLGYLIT-UHFFFAOYSA-N
XLogP1.63
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.26
LogP ≤ 51.63
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-3-(methylideneamino)pent-4-en-1-amine?
The IUPAC name of N-ethyl-4-methyl-3-(methylideneamino)pent-4-en-1-amine (CID 137427377) is N-ethyl-4-methyl-3-(methylideneamino)pent-4-en-1-amine.
What is the SMILES notation for N-ethyl-4-methyl-3-(methylideneamino)pent-4-en-1-amine?
The canonical SMILES for N-ethyl-4-methyl-3-(methylideneamino)pent-4-en-1-amine is C=NC(CCNCC)C(=C)C.
What is the InChIKey of N-ethyl-4-methyl-3-(methylideneamino)pent-4-en-1-amine?
The InChIKey is LZIJUAQZLGYLIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2/c1-5-11-7-6-9(10-4)8(2)3/h9,11H,2,4-7H2,1,3H3.
What are the key properties of N-ethyl-4-methyl-3-(methylideneamino)pent-4-en-1-amine?
N-ethyl-4-methyl-3-(methylideneamino)pent-4-en-1-amine has a molecular weight of 154.26 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-3-(methylideneamino)pent-4-en-1-amine is sourced from PubChem (CID 137427377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).