(Z)-3-methyl-2-(4-methylpent-1-en-3-ylideneamino)but-1-en-1-amine

C11H20N2 — CID 89109237

IUPAC(Z)-3-methyl-2-(4-methylpent-1-en-3-ylideneamino)but-1-en-1-amine
SMILESC=C/C(=N\C(=C/N)C(C)C)C(C)C
InChIInChI=1S/C11H20N2/c1-6-10(8(2)3)13-11(7-12)9(4)5/h6-9H,1,12H2,2-5H3/b11-7-,13-10+
InChIKeyFCXHJODVOGYNQZ-IHUNODJRSA-N
MW180.29 g/mol
LogP2.73
Rot. Bonds4

About (Z)-3-methyl-2-(4-methylpent-1-en-3-ylideneamino)but-1-en-1-amine

(Z)-3-methyl-2-(4-methylpent-1-en-3-ylideneamino)but-1-en-1-amine (PubChem CID 89109237) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is (Z)-3-methyl-2-(4-methylpent-1-en-3-ylideneamino)but-1-en-1-amine.

Molecular Properties

Compound Name(Z)-3-methyl-2-(4-methylpent-1-en-3-ylideneamino)but-1-en-1-amine
PubChem CID89109237
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name(Z)-3-methyl-2-(4-methylpent-1-en-3-ylideneamino)but-1-en-1-amine
SMILESC=C/C(=N\C(=C/N)C(C)C)C(C)C
InChIInChI=1S/C11H20N2/c1-6-10(8(2)3)13-11(7-12)9(4)5/h6-9H,1,12H2,2-5H3/b11-7-,13-10+
InChIKeyFCXHJODVOGYNQZ-IHUNODJRSA-N
XLogP2.73
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-methyl-2-(4-methylpent-1-en-3-ylideneamino)but-1-en-1-amine?
The IUPAC name of (Z)-3-methyl-2-(4-methylpent-1-en-3-ylideneamino)but-1-en-1-amine (CID 89109237) is (Z)-3-methyl-2-(4-methylpent-1-en-3-ylideneamino)but-1-en-1-amine.
What is the SMILES notation for (Z)-3-methyl-2-(4-methylpent-1-en-3-ylideneamino)but-1-en-1-amine?
The canonical SMILES for (Z)-3-methyl-2-(4-methylpent-1-en-3-ylideneamino)but-1-en-1-amine is C=C/C(=N\C(=C/N)C(C)C)C(C)C.
What is the InChIKey of (Z)-3-methyl-2-(4-methylpent-1-en-3-ylideneamino)but-1-en-1-amine?
The InChIKey is FCXHJODVOGYNQZ-IHUNODJRSA-N. The full InChI is InChI=1S/C11H20N2/c1-6-10(8(2)3)13-11(7-12)9(4)5/h6-9H,1,12H2,2-5H3/b11-7-,13-10+.
What are the key properties of (Z)-3-methyl-2-(4-methylpent-1-en-3-ylideneamino)but-1-en-1-amine?
(Z)-3-methyl-2-(4-methylpent-1-en-3-ylideneamino)but-1-en-1-amine has a molecular weight of 180.29 g/mol, XLogP of 2.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-methyl-2-(4-methylpent-1-en-3-ylideneamino)but-1-en-1-amine is sourced from PubChem (CID 89109237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).