N-methylethanamine;(4Z,6E)-3-methylidene-6-nitro-N-propylocta-4,6-dien-1-amine

C15H29N3O2 — CID 142853067

IUPACN-methylethanamine;(4Z,6E)-3-methylidene-6-nitro-N-propylocta-4,6-dien-1-amine
SMILESC=C(/C=C\C(=C/C)[N+](=O)[O-])CCNCCC.CCNC
InChIInChI=1S/C12H20N2O2.C3H9N/c1-4-9-13-10-8-11(3)6-7-12(5-2)14(15)16;1-3-4-2/h5-7,13H,3-4,8-10H2,1-2H3;4H,3H2,1-2H3/b7-6-,12-5+;
InChIKeyGVIZVFONFJYLJV-QIPXERRSSA-N
MW283.42 g/mol
LogP2.89
Rot. Bonds9

About N-methylethanamine;(4Z,6E)-3-methylidene-6-nitro-N-propylocta-4,6-dien-1-amine

N-methylethanamine;(4Z,6E)-3-methylidene-6-nitro-N-propylocta-4,6-dien-1-amine (PubChem CID 142853067) has the molecular formula C15H29N3O2 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-methylethanamine;(4Z,6E)-3-methylidene-6-nitro-N-propylocta-4,6-dien-1-amine.

Molecular Properties

Compound NameN-methylethanamine;(4Z,6E)-3-methylidene-6-nitro-N-propylocta-4,6-dien-1-amine
PubChem CID142853067
Molecular FormulaC15H29N3O2
Molecular Weight283.42 g/mol
Exact Mass283.23
IUPAC NameN-methylethanamine;(4Z,6E)-3-methylidene-6-nitro-N-propylocta-4,6-dien-1-amine
SMILESC=C(/C=C\C(=C/C)[N+](=O)[O-])CCNCCC.CCNC
InChIInChI=1S/C12H20N2O2.C3H9N/c1-4-9-13-10-8-11(3)6-7-12(5-2)14(15)16;1-3-4-2/h5-7,13H,3-4,8-10H2,1-2H3;4H,3H2,1-2H3/b7-6-,12-5+;
InChIKeyGVIZVFONFJYLJV-QIPXERRSSA-N
XLogP2.89
TPSA67.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methylethanamine;(4Z,6E)-3-methylidene-6-nitro-N-propylocta-4,6-dien-1-amine?
The IUPAC name of N-methylethanamine;(4Z,6E)-3-methylidene-6-nitro-N-propylocta-4,6-dien-1-amine (CID 142853067) is N-methylethanamine;(4Z,6E)-3-methylidene-6-nitro-N-propylocta-4,6-dien-1-amine.
What is the SMILES notation for N-methylethanamine;(4Z,6E)-3-methylidene-6-nitro-N-propylocta-4,6-dien-1-amine?
The canonical SMILES for N-methylethanamine;(4Z,6E)-3-methylidene-6-nitro-N-propylocta-4,6-dien-1-amine is C=C(/C=C\C(=C/C)[N+](=O)[O-])CCNCCC.CCNC.
What is the InChIKey of N-methylethanamine;(4Z,6E)-3-methylidene-6-nitro-N-propylocta-4,6-dien-1-amine?
The InChIKey is GVIZVFONFJYLJV-QIPXERRSSA-N. The full InChI is InChI=1S/C12H20N2O2.C3H9N/c1-4-9-13-10-8-11(3)6-7-12(5-2)14(15)16;1-3-4-2/h5-7,13H,3-4,8-10H2,1-2H3;4H,3H2,1-2H3/b7-6-,12-5+;.
What are the key properties of N-methylethanamine;(4Z,6E)-3-methylidene-6-nitro-N-propylocta-4,6-dien-1-amine?
N-methylethanamine;(4Z,6E)-3-methylidene-6-nitro-N-propylocta-4,6-dien-1-amine has a molecular weight of 283.42 g/mol, XLogP of 2.89, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylethanamine;(4Z,6E)-3-methylidene-6-nitro-N-propylocta-4,6-dien-1-amine is sourced from PubChem (CID 142853067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).