(E,2S)-N-methyl-4-[[(Z)-2-methylbut-2-enylidene]amino]pent-3-en-2-amine

C11H20N2 — CID 146415541

IUPAC(E,2S)-N-methyl-4-[[(Z)-2-methylbut-2-enylidene]amino]pent-3-en-2-amine
SMILESC/C=C(C)\C=N\C(C)=C\[C@H](C)NC
InChIInChI=1S/C11H20N2/c1-6-9(2)8-13-11(4)7-10(3)12-5/h6-8,10,12H,1-5H3/b9-6-,11-7+,13-8+/t10-/m0/s1
InChIKeyCRQLYXFFESVVAI-NIXNNZDMSA-N
MW180.30 g/mol
LogP2.54
Rot. Bonds4

About (E,2S)-N-methyl-4-[[(Z)-2-methylbut-2-enylidene]amino]pent-3-en-2-amine

(E,2S)-N-methyl-4-[[(Z)-2-methylbut-2-enylidene]amino]pent-3-en-2-amine (PubChem CID 146415541) has the molecular formula C11H20N2 and a molecular weight of 180.30 g/mol. Its IUPAC name is (E,2S)-N-methyl-4-[[(Z)-2-methylbut-2-enylidene]amino]pent-3-en-2-amine.

Molecular Properties

Compound Name(E,2S)-N-methyl-4-[[(Z)-2-methylbut-2-enylidene]amino]pent-3-en-2-amine
PubChem CID146415541
Molecular FormulaC11H20N2
Molecular Weight180.30 g/mol
Exact Mass180.16
IUPAC Name(E,2S)-N-methyl-4-[[(Z)-2-methylbut-2-enylidene]amino]pent-3-en-2-amine
SMILESC/C=C(C)\C=N\C(C)=C\[C@H](C)NC
InChIInChI=1S/C11H20N2/c1-6-9(2)8-13-11(4)7-10(3)12-5/h6-8,10,12H,1-5H3/b9-6-,11-7+,13-8+/t10-/m0/s1
InChIKeyCRQLYXFFESVVAI-NIXNNZDMSA-N
XLogP2.54
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.30
LogP ≤ 52.54
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 (E,2S)-N-methyl-4-[[(Z)-2-methylbut-2-enylidene]amino]pent-3-en-2-amine?
The IUPAC name of (E,2S)-N-methyl-4-[[(Z)-2-methylbut-2-enylidene]amino]pent-3-en-2-amine (CID 146415541) is (E,2S)-N-methyl-4-[[(Z)-2-methylbut-2-enylidene]amino]pent-3-en-2-amine.
What is the SMILES notation for (E,2S)-N-methyl-4-[[(Z)-2-methylbut-2-enylidene]amino]pent-3-en-2-amine?
The canonical SMILES for (E,2S)-N-methyl-4-[[(Z)-2-methylbut-2-enylidene]amino]pent-3-en-2-amine is C/C=C(C)\C=N\C(C)=C\[C@H](C)NC.
What is the InChIKey of (E,2S)-N-methyl-4-[[(Z)-2-methylbut-2-enylidene]amino]pent-3-en-2-amine?
The InChIKey is CRQLYXFFESVVAI-NIXNNZDMSA-N. The full InChI is InChI=1S/C11H20N2/c1-6-9(2)8-13-11(4)7-10(3)12-5/h6-8,10,12H,1-5H3/b9-6-,11-7+,13-8+/t10-/m0/s1.
What are the key properties of (E,2S)-N-methyl-4-[[(Z)-2-methylbut-2-enylidene]amino]pent-3-en-2-amine?
(E,2S)-N-methyl-4-[[(Z)-2-methylbut-2-enylidene]amino]pent-3-en-2-amine has a molecular weight of 180.30 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2S)-N-methyl-4-[[(Z)-2-methylbut-2-enylidene]amino]pent-3-en-2-amine is sourced from PubChem (CID 146415541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).