(Z,2Z)-2-ethylidene-5-imino-N-methyl-N-[(Z)-prop-1-enyl]pent-3-en-1-amine

C11H18N2 — CID 146558471

IUPAC(Z,2Z)-2-ethylidene-5-imino-N-methyl-N-[(Z)-prop-1-enyl]pent-3-en-1-amine
SMILES[H]/N=C/C=C\C(=C\C)CN(C)/C=C\C
InChIInChI=1S/C11H18N2/c1-4-9-13(3)10-11(5-2)7-6-8-12/h4-9,12H,10H2,1-3H3/b7-6-,9-4-,11-5-,12-8+
InChIKeyZDSOLFCJOFIYSW-LWGLFWNDSA-N
MW178.28 g/mol
LogP2.60
Rot. Bonds5

About (Z,2Z)-2-ethylidene-5-imino-N-methyl-N-[(Z)-prop-1-enyl]pent-3-en-1-amine

(Z,2Z)-2-ethylidene-5-imino-N-methyl-N-[(Z)-prop-1-enyl]pent-3-en-1-amine (PubChem CID 146558471) has the molecular formula C11H18N2 and a molecular weight of 178.28 g/mol. Its IUPAC name is (Z,2Z)-2-ethylidene-5-imino-N-methyl-N-[(Z)-prop-1-enyl]pent-3-en-1-amine.

Molecular Properties

Compound Name(Z,2Z)-2-ethylidene-5-imino-N-methyl-N-[(Z)-prop-1-enyl]pent-3-en-1-amine
PubChem CID146558471
Molecular FormulaC11H18N2
Molecular Weight178.28 g/mol
Exact Mass178.15
IUPAC Name(Z,2Z)-2-ethylidene-5-imino-N-methyl-N-[(Z)-prop-1-enyl]pent-3-en-1-amine
SMILES[H]/N=C/C=C\C(=C\C)CN(C)/C=C\C
InChIInChI=1S/C11H18N2/c1-4-9-13(3)10-11(5-2)7-6-8-12/h4-9,12H,10H2,1-3H3/b7-6-,9-4-,11-5-,12-8+
InChIKeyZDSOLFCJOFIYSW-LWGLFWNDSA-N
XLogP2.60
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.28
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z,2Z)-2-ethylidene-5-imino-N-methyl-N-[(Z)-prop-1-enyl]pent-3-en-1-amine?
The IUPAC name of (Z,2Z)-2-ethylidene-5-imino-N-methyl-N-[(Z)-prop-1-enyl]pent-3-en-1-amine (CID 146558471) is (Z,2Z)-2-ethylidene-5-imino-N-methyl-N-[(Z)-prop-1-enyl]pent-3-en-1-amine.
What is the SMILES notation for (Z,2Z)-2-ethylidene-5-imino-N-methyl-N-[(Z)-prop-1-enyl]pent-3-en-1-amine?
The canonical SMILES for (Z,2Z)-2-ethylidene-5-imino-N-methyl-N-[(Z)-prop-1-enyl]pent-3-en-1-amine is [H]/N=C/C=C\C(=C\C)CN(C)/C=C\C.
What is the InChIKey of (Z,2Z)-2-ethylidene-5-imino-N-methyl-N-[(Z)-prop-1-enyl]pent-3-en-1-amine?
The InChIKey is ZDSOLFCJOFIYSW-LWGLFWNDSA-N. The full InChI is InChI=1S/C11H18N2/c1-4-9-13(3)10-11(5-2)7-6-8-12/h4-9,12H,10H2,1-3H3/b7-6-,9-4-,11-5-,12-8+.
What are the key properties of (Z,2Z)-2-ethylidene-5-imino-N-methyl-N-[(Z)-prop-1-enyl]pent-3-en-1-amine?
(Z,2Z)-2-ethylidene-5-imino-N-methyl-N-[(Z)-prop-1-enyl]pent-3-en-1-amine has a molecular weight of 178.28 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2Z)-2-ethylidene-5-imino-N-methyl-N-[(Z)-prop-1-enyl]pent-3-en-1-amine is sourced from PubChem (CID 146558471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).